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[(Z)-6-phenylhex-3-en-1,5-diynyl]benzene

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

[(Z)-6-phenylhex-3-en-1,5-diynyl]benzene
SpectraBase Compound ID ICUsRyVihNV
InChI InChI=1S/C18H12/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-4,7-10,13-16H/b2-1-
InChIKey ZZOLVPYFGLQRQS-UPHRSURJSA-N
Mol Weight 228.29 g/mol
Molecular Formula C18H12
Exact Mass 228.0939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LC3jwUXQsK1
Name [(Z)-6-Phenylhex-3-en-1,5-diynyl]benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.093900386 u
Formula C18H12
InChI InChI=1S/C18H12/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18/h1-4,7-10,13-16H/b2-1-
InChIKey ZZOLVPYFGLQRQS-UPHRSURJSA-N
Molecular Weight 228.294 g/mol
SMILES C(#CC1=CC=CC=C1)\C=C/C#CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90165