Product NameNICOTINIC ACID N-OCTYL ESTER
CAS40975-41-5
Molecular FormulaC14H21NO2
Molecular Weight235.32
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
InChIKey TYBQVEHLLOHMLT-UHFFFAOYSA-N
SmilesC1(C=NC=CC=1)C(=O)OCCCCCCCC
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
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
NICOTINIC ACID N-OCTYL ESTER(40975-41-5) 13C NMR Atlas of Related Products
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