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3-Methyl-2-cyclohexen-1-one
SpectraBase Compound ID GH5Hogdlao9
InChI InChI=1S/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey IITQJMYAYSNIMI-UHFFFAOYSA-N
Mol Weight 110.16 g/mol
Molecular Formula C7H10O
Exact Mass 110.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3Xyfq8Ze2R
Name 3-Methyl-2-cyclohexen-1-one
CAS Registry Number 1193-18-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O
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/C7H10O/c1-6-3-2-4-7(8)5-6/h5H,2-4H2,1H3
InChIKey IITQJMYAYSNIMI-UHFFFAOYSA-N
Molecular Weight 110.156 g/mol
SMILES CC1=CC(=O)CCC1
SPLASH splash10-0f89-9000000000-fabfd5088f2d0fe5eb1d
Source ex ALDRICH
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Methyl-2-cyclohexen-1-one<3->
Wiley ID 1887620