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2-trans-(3'-Methyl-buta-1',3'-dienyl)-toluene
SpectraBase Compound ID 3aYlM9qGSxm
InChI InChI=1S/C12H14/c1-10(2)8-9-12-7-5-4-6-11(12)3/h4-9H,1H2,2-3H3/b9-8+
InChIKey ZXYXTWJRZGFOED-CMDGGOBGSA-N
Mol Weight 158.24 g/mol
Molecular Formula C12H14
Exact Mass 158.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8Keeln57hy
Name 2-trans-(3'-Methyl-buta-1',3'-dienyl)-toluene
Alternate Name(s) (E)-1-methyl-2-(3-methylbuta-1,3-dien-1-yl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14
InChI InChI=1S/C12H14/c1-10(2)8-9-12-7-5-4-6-11(12)3/h4-9H,1H2,2-3H3/b9-8+
InChIKey ZXYXTWJRZGFOED-CMDGGOBGSA-N
Literature Reference DOI 10.1002/hlca.19710540771
Molecular Weight 158.244 g/mol
SMILES C=C(\C=C\c1c(C)cccc1)C
SPLASH splash10-002f-0900000000-441d72667ceb79c94f65
Source of Spectrum H-54-2351-trans_9_1
Wiley ID 1799874