Question

H1-NMR, what molecule do you get from the following spectra?

Answer 1

I have been analyzing the integral and got the following ratio 2:2:3:3 from left towards right. The total number of atoms is unknown.

Answer 2

And I know it is a organic molecule...

Answer 3

do they have given empirical formula please check it out without that it is difficult LOL

Answer 4

It is... and I can't do a MS and UI

Answer 5

mean

Answer 6

sorry meant IR ;)

Answer 7

But I think that we are something in the size of ethyl 3-oxobutanoat. Almost fits but I know it is not that.

Answer 8

CH3CH2-O group is there what u say

Answer 9

CH3CH2-O-CH2-C(CH3)3 how about this

Answer 10

can't read around 2 (the scale is ridiculous) but both around 2 and 3 are retricemetric I would say.

Answer 11

The peak at 2.5 and 3 are singlet right i can say they are doublet or quatret

Answer 12

My original guess:

Answer 13

they could be singlets given the resolution of the spectrum.

Answer 14

But we have the specific ppm to assist so I would think it is dublets.

Answer 15

yaa lol!!! just missed but said that it contains CH3CH2O right

Answer 16

according to they are singlet only the peaks at 3.41 and 2.27

Answer 17

But please correct me if you guys think I'm wrong on this point, but we can read off using both numbers and the diagram that:
3 protons see 2 protons < 3 protons see 3 protons < 2 protons see 1 proton < 2 protons see 3 protons?

Answer 18

why don't you try it there:
http://web.chemdoodle.com/demos/simulate-nmr-and-ms

Answer 19

I use a similar program BioChemDraw that also have a 1H 13C simulator. But would be good if the diagram could be uploaded and then do a check.

Answer 20

Cl-C triple bond C-H

Answer 21

1-Chloro ethyne

Answer 22

That only have one chemical shift at about 2.5-3 if I had to guess

Answer 23

singlet

Answer 24

methane also u get singlet dude

Answer 25

CH3Cl

Answer 26

@Preetha
@blues
@aaronq

Answer 27

what happened dude

Answer 28

Nothing, just linked them to here.
Non the less as far as I can see it we have the following situation:
3 protons see 2 protons < 3 protons see 3 protons < 2 protons see 1 proton < 2 protons see 3 protons. With this meaning we have 4 carbon atoms we know most contain hydrogen so:
C: >=4
H: 10
O: ?
maybe Cl

Answer 29

at first i would say there is a problem with pairing the signals. if 3 see 2 and 2 see 3 then it is clear. but if 2 see 1 you need to have 1 that sees 2...

Answer 30

Exactly...

Answer 31

then I would again question whether the signals at 2.x and 3.y are anything else but singlets badly assigned because of signal resolution.

Answer 32

man, i wish i could help you, but if you don't have a definite spectra, I'm afraid i can't.

Answer 33

Okay I found it:
http://sdbs.riodb.aist.go.jp/sdbs/cgi-bin/direct_frame_disp.cgi?sdbsno=573
It was the right molecule what I guessed.
When you look at the peak data (which I have been given) you can see all the ones I wrote. But what my beloved prof was so sweet to leave out was the intensity...
When you look at the intensity for peak around 2 ppm we can see two relative quite different values in ppm which does not obey Pascal's triangle for intensity in NMR. I don't know if you out from that argument and observation can conclude it most be a singlet and the second value is caused by "long-distance-interference" or bag ground noise.