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JXENLILXUMZMFC-UHFFFAOYSA-N
SpectraBase Compound ID BZS5nVDUVPT
InChI InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-5,7H,1-2,6H2,3H3
InChIKey JXENLILXUMZMFC-UHFFFAOYSA-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 1QlvRrbcHHr
Name 1,5-Hexadiene, 3-methyl-
Alternate Name(s) 3-Methyl-1,5-hexadiene 3-Methylhexa-1,5-diene
CAS Registry Number 1541-33-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-5,7H,1-2,6H2,3H3
InChIKey JXENLILXUMZMFC-UHFFFAOYSA-N
Molecular Weight 96.173 g/mol
SMILES CC(CC=C)C=C
SPLASH splash10-0a4i-9000000000-d0988043ebb834d7dd65
Source of Spectrum HE-1982-0-0
Wiley ID 1118255