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1-((1E,4Z)-7-Methylenetrideca-1,4-dienyl)-benzene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

1-((1E,4Z)-7-Methylenetrideca-1,4-dienyl)-benzene
SpectraBase Compound ID JkNk1w1dsbb
InChI InChI=1S/C20H28/c1-3-4-5-9-14-19(2)15-10-6-7-11-16-20-17-12-8-13-18-20/h6,8,10-13,16-18H,2-5,7,9,14-15H2,1H3/b10-6-,16-11+
InChIKey VUZIVZGOAMGIMW-AXLPOJBWSA-N
Mol Weight 268.44 g/mol
Molecular Formula C20H28
Exact Mass 268.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jsoal7gck1b
Name 1-((1E,4Z)-7-Methylenetrideca-1,4-dienyl)-benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 268.219100902 u
Formula C20H28
InChI InChI=1S/C20H28/c1-3-4-5-9-14-19(2)15-10-6-7-11-16-20-17-12-8-13-18-20/h6,8,10-13,16-18H,2-5,7,9,14-15H2,1H3/b10-6-,16-11+
InChIKey VUZIVZGOAMGIMW-AXLPOJBWSA-N
Molecular Weight 268.444 g/mol
SMILES C1(\C=C\C\C=C/CC(=C)CCCCCC)=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.91578