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((3E)-hepta-3,6-dien-1-ylbenzene

View entire compound with spectra: 1 MS (GC)

((3E)-hepta-3,6-dien-1-ylbenzene
SpectraBase Compound ID 610v6gBBBvk
InChI InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,4-6,8-9,11-12H,1,3,7,10H2/b5-4+
InChIKey AASRVBAUANKAHG-SNAWJCMRSA-N
Mol Weight 172.27 g/mol
Molecular Formula C13H16
Exact Mass 172.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GuRlwdQ4KEs
Name ((3E)-hepta-3,6-dien-1-ylbenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,4-6,8-9,11-12H,1,3,7,10H2/b5-4+
InChIKey AASRVBAUANKAHG-SNAWJCMRSA-N
Literature Reference DOI 10.1002/anie.201407000
Molecular Weight 172.271 g/mol
SMILES c1cccc(CC\C=C\CC=C)c1
SPLASH splash10-0006-9300000000-de8442b23f00550a5e9f
Source of Spectrum ACI-53-SMS13-4m
Synonyms (E)-hepta-3,6-dien-1-ylbenzene
Wiley ID 1782810