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1,4-Hexadiene, 2-methyl-
SpectraBase Compound ID Gt0xnshx1JJ
InChI InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-5H,2,6H2,1,3H3/b5-4+
InChIKey XBUBWPOBEDQVOO-SNAWJCMRSA-N
Mol Weight 96.17 g/mol
Molecular Formula C7H12
Exact Mass 96.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F951HK9gJYS
Name 1,4-Hexadiene, 2-methyl-
Alternate Name(s) (4E)-2-Methyl-1,4-hexadiene 2-Methyl-1,4-hexadiene (4E)-2-methylhexa-1,4-diene (E)-2-methylhexa-1,4-diene
CAS Registry Number 1119-14-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-4-5-6-7(2)3/h4-5H,2,6H2,1,3H3/b5-4+
InChIKey XBUBWPOBEDQVOO-SNAWJCMRSA-N
Molecular Weight 96.173 g/mol
SMILES C\C=C\CC(C)=C
SPLASH splash10-0040-9000000000-d0b2f5006e55776bb238
Source of Spectrum AD-0-239-0
Wiley ID 1310