Sunday 5 November 2017

Learn spectroscopy, Valeric acid or pentanoic acid. PROBLEM 1


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Product Name: Valeric acid
CAS:109-52-4

valeric acid
pentansäure
acide pentanoic
ペンタン酸
109-52-4 CAS
C5H10O2


Valeric acid, or pentanoic acid.


This 13C spectrum exhibits resonances at the following chemical shifts, and with the multiplicities indicated:
Shift (ppm)
Mult.
180.8
S
33.8
T
26.8
T
22.4
T
3.58
Q

 (C5H10O2)
A= 13.4
B=22.4
C=26.8
D=33.8
E=180.6







1H NMR BELOW

t=0.78
m=1.22
m=1.46
t=2.2
s=11.8














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2D [1H,1H]-TOCSY, 7.4 spectrum for Valeric acid

2D [1H,1H]-TOCSY

Concentration: 100 mM
temperature: 298 K
pH: 7.4



1D DEPT90, 7.4 spectrum for Valeric acid

1D DEPT90

Concentration: 100 mM
temperature: 298 K
pH: 7.4







1D DEPT135, 7.4 spectrum for Valeric acid


1D DEPT135

Concentration: 100 mM
temperature: 298 K
pH: 7.4


2D [1H,13C]-HSQC, 7.4 spectrum for Valeric acid

2D [1H,13C]-HSQC

Concentration: 100 mM
temperature: 298 K
pH: 7.4



2D [1H,13C]-HMBC, 7.4 spectrum for Valeric acid

2D [1H,13C]-HMBC

Concentration: 100 mM
temperature: 298 K
pH: 7.4
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