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2-Methyl-1-phenyl-1,5-hexadiene isomer

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2-Methyl-1-phenyl-1,5-hexadiene isomer
SpectraBase Compound ID 4sXuQt1ae9C
InChI InChI=1S/C13H16/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,5-7,9-11H,1,4,8H2,2H3/b12-11+
InChIKey CKBGSMCNYULSRY-VAWYXSNFSA-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 7Pi3a6Md7QF
Name 2-Methyl-1-phenyl-1,5-hexadiene isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16
InChI InChI=1S/C13H16/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,5-7,9-11H,1,4,8H2,2H3/b12-11+
InChIKey CKBGSMCNYULSRY-VAWYXSNFSA-N
Molecular Weight 172.271 g/mol
SMILES C(\C(=C\c1ccccc1)C)CC=C
SPLASH splash10-001i-2900000000-22822aa6e422c0e717b5
Source of Spectrum O1-25-83-7
Synonyms [(1E)-2-methylhexa-1,5-dienyl]benzene
Wiley ID 1536662