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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 2VnbxWxV6ZI
Name 1,4-Hexadiene, 2-methyl-
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\C=C\C)C
SPLASH splash10-001r-9000000000-6e6b63543e84458ca6d3
Source of Spectrum JX-2015-6-5220
Synonyms (4E)-2-Methyl-1,4-hexadiene 2-Methyl-1,4-hexadiene (4E)-2-methylhexa-1,4-diene (E)-2-methylhexa-1,4-diene
Wiley ID 1729059