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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 JWEBxbaG3H0
Name 1,4-Cyclohexadiene, 1-methyl-
CAS Registry Number 4313-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10
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 C1C(C)=CCC=C1
SPLASH splash10-004i-9000000000-9bf48d085e650a6f2981
Source of Spectrum AD-0-4853-0
Synonyms 1-Methyl-1,4-cyclohexadiene 1-Methylcyclohexa-1,4-diene 2,5-Dihydrotoluene AI3-28791 EINECS 224-329-6
Wiley ID 1117910