N-BUTYL NICOTINATE(6938-06-3) MS
Product NameN-BUTYL NICOTINATE
CAS6938-06-3
Molecular FormulaC10H13NO2
Molecular Weight179.22
InChIInChI=1S/C10H13NO2/c1-2-3-7-13-10(12)9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3
InChIKey DQULIMIQTCDUAN-UHFFFAOYSA-N
SmilesC1=NC=CC=C1C(OCCCC)=O
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Assign. Shift(ppm)
A 9.23 B 8.77 C 8.30 D 7.39 E 4.37 F 1.79 G 1.50 J 1.00Spectral Code: 1H NMR : 90 MHz in CDCl3
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ppm Int. Assign.
165.23 309 1 153.36 525 2 150.95 470 3 136.94 591 4 126.47 503 5 123.28 713 6 65.24 1000 7 30.79 818 8 19.29 680 9 13.73 691 10Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : liquid film
