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(3E,5E)-5-ethyl-6-phenyl-hexa-3,5-dienoic acid methyl ester

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

(3E,5E)-5-ethyl-6-phenyl-hexa-3,5-dienoic acid methyl ester
SpectraBase Compound ID 93MPSt2WzcW
InChI InChI=1S/C15H18O2/c1-3-13(10-7-11-15(16)17-2)12-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+,13-12+
InChIKey WKMDSNIKSFLYTO-KVAQXVMESA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 64ohm6bsgG8
Name (3E,5E)-5-Ethyl-6-phenyl-hexa-3,5-dienoic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.130679818 u
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-3-13(10-7-11-15(16)17-2)12-14-8-5-4-6-9-14/h4-10,12H,3,11H2,1-2H3/b10-7+,13-12+
InChIKey WKMDSNIKSFLYTO-KVAQXVMESA-N
Molecular Weight 230.307 g/mol
SMILES C(C\C=C\C(=C\C=1C=CC=CC1)CC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899984