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1-Methyl-1,4-cyclohexadiene
SpectraBase Compound ID KzHpA0JKtz5
InChI InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChIKey QDXQAOGNBCOEQX-UHFFFAOYSA-N
Mol Weight 94.16 g/mol
Molecular Formula C7H10
Exact Mass 94.07825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLkfkjmLpf6
Name Methyl-1,4-cyclohexadiene
CAS Registry Number 4313-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C7H10/c1-7-5-3-2-4-6-7/h2-3,6H,4-5H2,1H3
InChIKey QDXQAOGNBCOEQX-UHFFFAOYSA-N
Molecular Weight 94.157 g/mol
SMILES CC=1CC=CCC1
SPLASH splash10-004i-9000000000-a97bee32c0842fa690a8
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1887616