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7-Dodecenoic acid, phenylmethyl ester, (Z)-

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

7-Dodecenoic acid, phenylmethyl ester, (Z)-
SpectraBase Compound ID 8iAYQ78aciC
InChI InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h5-6,10-12,14-15H,2-4,7-9,13,16-17H2,1H3/b6-5-
InChIKey VDQSESWRODTNKI-WAYWQWQTSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3CQijQJTsVA
Name 7-Dodecenoic acid, phenylmethyl ester, (Z)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-2-3-4-5-6-7-8-9-13-16-19(20)21-17-18-14-11-10-12-15-18/h5-6,10-12,14-15H,2-4,7-9,13,16-17H2,1H3/b6-5-
InChIKey VDQSESWRODTNKI-WAYWQWQTSA-N
SMILES C(=O)(OCC=1C=CC=CC1)CCCCC\C=C/CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934048