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4-Isopropyl-3,4-dimethyl-2,5-cyclohexadien-1-one
SpectraBase Compound ID 8U93bvjEh53
InChI InChI=1S/C11H16O/c1-8(2)11(4)6-5-10(12)7-9(11)3/h5-8H,1-4H3
InChIKey JGIJYQIFJVTMPV-UHFFFAOYSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VTWZwpqVhM
Name 4-Isopropyl-3,4-dimethyl-2,5-cyclohexadien-1-one
Alternate Name(s) 3,4-Dimethyl-4-propan-2-yl-1-cyclohexa-2,5-dienone 3,4-Dimethyl-4-propan-2-yl-cyclohexa-2,5-dien-1-one 4-Isopropyl-3,4-dimethyl-cyclohexa-2,5-dien-1-one
CAS Registry Number 60845-43-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-8(2)11(4)6-5-10(12)7-9(11)3/h5-8H,1-4H3
InChIKey JGIJYQIFJVTMPV-UHFFFAOYSA-N
Molecular Weight 164.248 g/mol
SMILES CC1=CC(C=CC1(C(C)C)C)=O
SPLASH splash10-05fr-4900000000-223ee8701e5ee72e8455
Wiley ID 1483278