1-(Hexynyl)-3-[(Z)-2-phenylethenyl]-1-cyclohexene

SpectraBase Compound ID	6r8hXtEs9B
InChI	InChI=1S/C20H24/c1-2-3-4-6-12-19-13-9-14-20(17-19)16-15-18-10-7-5-8-11-18/h5,7-8,10-11,15-17,20H,2-4,9,13-14H2,1H3/b16-15-
InChIKey	BCFVNMXDBMRPHN-NXVVXOECSA-N Google Search
Mol Weight	264.41 g/mol
Molecular Formula	C20H24
Exact Mass	264.187801 g/mol

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SpectraBase Spectrum ID	LHqRalvWunW
Name	1-(Hexynyl)-3-[(Z)-2-phenylethenyl]-1-cyclohexene
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	264.187800773 u
Formula	C20H24
InChI	InChI=1S/C20H24/c1-2-3-4-6-12-19-13-9-14-20(17-19)16-15-18-10-7-5-8-11-18/h5,7-8,10-11,15-17,20H,2-4,9,13-14H2,1H3/b16-15-
InChIKey	BCFVNMXDBMRPHN-NXVVXOECSA-N
Molecular Weight	264.412 g/mol
SMILES	C(#CCCCC)C1=CC(\C=C/C2=CC=CC=C2)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.825991