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(3E)-3,5-hexadienyl 4-phenyl-3-butenoate

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

(3E)-3,5-hexadienyl 4-phenyl-3-butenoate
SpectraBase Compound ID DMBsGUBmnq9
InChI InChI=1S/C16H18O2/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h2-7,9-12H,1,8,13-14H2/b4-3+,12-9+
InChIKey NOIKEYSWQZDUNA-GMHKHPCXSA-N
Mol Weight 242.32 g/mol
Molecular Formula C16H18O2
Exact Mass 242.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bkgg1Ea4uoW
Name (3E)-3,5-Hexadienyl 4-phenyl-3-butenoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.130679818 u
Formula C16H18O2
InChI InChI=1S/C16H18O2/c1-2-3-4-8-14-18-16(17)13-9-12-15-10-6-5-7-11-15/h2-7,9-12H,1,8,13-14H2/b4-3+,12-9+
InChIKey NOIKEYSWQZDUNA-GMHKHPCXSA-N
Molecular Weight 242.318 g/mol
SMILES C(=O)(OCC\C=C\C=C)C\C=C\C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900876