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nicotinic acid, hexyl ester

View entire compound with spectra: 5 NMR, 2 FTIR, 1 Raman, and 1 MS (GC)

nicotinic acid, hexyl ester
SpectraBase Compound ID FYlTlVKNIWG
InChI InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
InChIKey RVYGVBZGSFLJKH-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gslf9pTKDGq
Name NICOTINIC ACID, HEXYL ESTER
Source of Sample Calbiochem, Los Angeles, California
Boiling Point 155-160C/10mm
Comments Impurity is -C(=O)-O-CH2CH(CH2CH3)2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-2-3-4-5-9-15-12(14)11-7-6-8-13-10-11/h6-8,10H,2-5,9H2,1H3
InChIKey RVYGVBZGSFLJKH-UHFFFAOYSA-N
Molecular Weight 207.28
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20