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cis-5-Dodecenoic acid, picolinyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

cis-5-Dodecenoic acid, picolinyl ester
SpectraBase Compound ID JVOVBRD2ifB
InChI InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h7-8,11-12,14-15H,2-6,9-10,13,16H2,1H3/b8-7-
InChIKey SSWZBPBSEOOPCH-FPLPWBNLSA-N
Mol Weight 289.42 g/mol
Molecular Formula C18H27NO2
Exact Mass 289.204179 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FkegeCscUpr
Name cis-5-Dodecenoic acid, picolinyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.204179111 u
Formula C18H27NO2
InChI InChI=1S/C18H27NO2/c1-2-3-4-5-6-7-8-9-10-13-18(20)21-16-17-12-11-14-19-15-17/h7-8,11-12,14-15H,2-6,9-10,13,16H2,1H3/b8-7-
InChIKey SSWZBPBSEOOPCH-FPLPWBNLSA-N
SMILES C(=O)(OCC1=CN=CC=C1)CCC\C=C/CCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.893368