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2,5-Cyclohexadien-1-one, 4-chloro-2-(1,1-dimethylethyl)-4-methyl-
SpectraBase Compound ID HGkS3q4gxke
InChI InChI=1S/C11H15ClO/c1-10(2,3)8-7-11(4,12)6-5-9(8)13/h5-7H,1-4H3
InChIKey XJOIAEUNEGVQDP-UHFFFAOYSA-N
Mol Weight 198.69 g/mol
Molecular Formula C11H15ClO
Exact Mass 198.081143 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WlhxJC77ZP
Name 2,5-Cyclohexadien-1-one, 4-chloro-2-(1,1-dimethylethyl)-4-methyl-
Alternate Name(s) 2-tert-Butyl-4-chloro-4-methyl-2,5-cyclohexadien-1-one 2-tert-Butyl-4-chloro-4-methylcyclohexa-2,5-dien-1-one
CAS Registry Number 70264-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H15ClO
InChI InChI=1S/C11H15ClO/c1-10(2,3)8-7-11(4,12)6-5-9(8)13/h5-7H,1-4H3
InChIKey XJOIAEUNEGVQDP-UHFFFAOYSA-N
Molecular Weight 198.693 g/mol
SMILES C1(=CC(Cl)(C)C=CC1=O)C(C)(C)C
SPLASH splash10-0h90-1900000000-8cff907d6c846e1412eb
Source of Spectrum I-57-556-0
Wiley ID 1195426