NICOTINIC ACID N-OCTYL ESTER
Product Name
NICOTINIC ACID N-OCTYL ESTER
CAS40975-41-5
MFC14H21NO2
MW235.32
InChIInChI=1S/C14H21NO2/c1-2-3-4-5-6-7-11-17-14(16)13-9-8-10-15-12-13/h8-10,12H,2-7,11H2,1H3
InChIKeyTYBQVEHLLOHMLT-UHFFFAOYSA-N
SmilesC1(C=NC=CC=1)C(=O)OCCCCCCCC
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Assign. Shift(ppm)
A 9.232
B 8.771
C 8.295
D 7.386
E 4.350
F 1.79
G 1.59 to 1.12
J 0.89
Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
165.28 376 1
153.35 772 2
150.97 706 3
136.97 873 4
126.45 325 5
123.25 660 6
65.58 695 7
31.82 690 8
29.25 1000 9
10
28.73 822 11
26.06 792 12
22.68 848 13
14.09 772 14
Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
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