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cis-1-(5-Benzylpenta-3,4-dien-3-yl)-2-propylcyclohexene

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

cis-1-(5-Benzylpenta-3,4-dien-3-yl)-2-propylcyclohexene
SpectraBase Compound ID LWGi7GUnJ59
InChI InChI=1S/C21H28/c1-3-11-20-15-8-9-17-21(20)19(4-2)16-10-14-18-12-6-5-7-13-18/h5-7,10,12-13H,3-4,8-9,11,14-15,17H2,1-2H3
InChIKey KEXLBQUZYFZQNJ-UHFFFAOYSA-N
Mol Weight 280.45 g/mol
Molecular Formula C21H28
Exact Mass 280.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KFxeJERCVqY
Name cis-1-(5-Benzylpenta-3,4-dien-3-yl)-2-propylcyclohexene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.219100902 u
Formula C21H28
InChI InChI=1S/C21H28/c1-3-11-20-15-8-9-17-21(20)19(4-2)16-10-14-18-12-6-5-7-13-18/h5-7,10,12-13H,3-4,8-9,11,14-15,17H2,1-2H3
InChIKey KEXLBQUZYFZQNJ-UHFFFAOYSA-N
SMILES C1(C(=C=CCC=2C=CC=CC2)CC)=C(CCC)CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96555