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Topic: Struggling with this NMR  (Read 3129 times)

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Offline Juanluma99

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Struggling with this NMR
« on: November 30, 2018, 04:44:19 PM »
Hi, I have been trying to find out the molecule that is represented in this NMR, actually I know how to understand NMRs but I can´t do this one.

Can anyone help me? Thanks.

Regards,

Juan Luis

Offline wildfyr

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Re: Struggling with this NMR
« Reply #1 on: November 30, 2018, 06:18:50 PM »
No other Spectra of other types? Are you sure it's integrated correctly? My first impression is that it is not

Edit oops I missed the formula at the top
« Last Edit: November 30, 2018, 07:04:39 PM by wildfyr »

Offline OrganicDan96

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Re: Struggling with this NMR
« Reply #2 on: November 30, 2018, 06:50:17 PM »
Hi, I have been trying to find out the molecule that is represented in this NMR, actually I know how to understand NMRs but I can´t do this one.

Can anyone help me? Thanks.

Regards,

Juan Luis

what sort of group might be represented by a doublet with integration 6 about 0.8 ppm? what do you think the heteroatom does to the chemical shift of nearby protons. this might be a good place to start.

Offline Juanluma99

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Re: Struggling with this NMR
« Reply #3 on: November 30, 2018, 07:14:33 PM »
No other Spectra of other types? Are you sure it's integrated correctly? My first impression is that it is not

Edit oops I missed the formula at the top

I just remembered, it is a thiol or a thioether, that’s the last thing I know about it.

Offline Juanluma99

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Re: Struggling with this NMR
« Reply #4 on: November 30, 2018, 07:23:33 PM »
Hi, I have been trying to find out the molecule that is represented in this NMR, actually I know how to understand NMRs but I can´t do this one.

Can anyone help me? Thanks.

Regards,

Juan Luis

what sort of group might be represented by a doublet with integration 6 about 0.8 ppm? what do you think the heteroatom does to the chemical shift of nearby protons. this might be a good place to start.

It should be 2 primary alkyls(due to the integration 6) with one neighbour Hydrogen.
Also, the heteroatom attracts the electron density, making the near atoms appear in a higher field and the far atoms in a lower field.

Am I correct?
« Last Edit: November 30, 2018, 07:38:03 PM by Juanluma99 »

Offline OrganicDan96

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Re: Struggling with this NMR
« Reply #5 on: December 01, 2018, 03:00:38 PM »


It should be 2 primary alkyls(due to the integration 6) with one neighbour Hydrogen.
Also, the heteroatom attracts the electron density, making the near atoms appear in a higher field and the far atoms in a lower field.

Am I correct?
yes although you have mixed up higher and lower field, common mistake.

so can you draw that fragment of the molecule out?

Offline Juanluma99

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Re: Struggling with this NMR
« Reply #6 on: December 01, 2018, 05:05:36 PM »


It should be 2 primary alkyls(due to the integration 6) with one neighbour Hydrogen.
Also, the heteroatom attracts the electron density, making the near atoms appear in a higher field and the far atoms in a lower field.

Am I correct?
yes although you have mixed up higher and lower field, common mistake.

so can you draw that fragment of the molecule out?
High field to the right, low field to the left, am I correct?

And yeah, I can draw it, 2 primary alkyls bonded to a tertiary alkyl right?

Offline critzz

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Re: Struggling with this NMR
« Reply #7 on: December 18, 2018, 10:08:36 AM »
From the molecular formula you know the degree of unsaturation is 0 (no double bonds or rings). With the 6H signal present, there is only one configuration you can draw which leads to having 2 terminal methyl groups in the molecule.

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