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1,4-Heptadiene, 3-methyl-
SpectraBase Compound ID ALWygKmikfl
InChI InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h5-8H,2,4H2,1,3H3/b7-6+
InChIKey FBJNXQPYIFUANI-VOTSOKGWSA-N
Mol Weight 110.2 g/mol
Molecular Formula C8H14
Exact Mass 110.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JKrwAbqWrnB
Name 1,4-Heptadiene, 3-methyl-
CAS Registry Number 1603-01-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14
InChI InChI=1S/C8H14/c1-4-6-7-8(3)5-2/h5-8H,2,4H2,1,3H3/b7-6+
InChIKey FBJNXQPYIFUANI-VOTSOKGWSA-N
Molecular Weight 110.200 g/mol
SMILES CC\C=C\C(C)C=C
SPLASH splash10-0159-9000000000-d300ff044fe306c562ec
Source of Spectrum AD-0-241-0
Synonyms (4E)-3-Methyl-1,4-heptadiene 3-Methyl-1,4-heptadiene (4E)-3-methylhepta-1,4-diene (E)-3-methylhepta-1,4-diene
Wiley ID 2571