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3-(4-Chlorobenzyl)-5,5-dimethyl-2-cyclohexen-1-one
SpectraBase Compound ID 7sNccHLPbGQ
InChI InChI=1S/C15H17ClO/c1-15(2)9-12(8-14(17)10-15)7-11-3-5-13(16)6-4-11/h3-6,8H,7,9-10H2,1-2H3
InChIKey QHPKZVVZBBOKHL-UHFFFAOYSA-N
Mol Weight 248.75 g/mol
Molecular Formula C15H17ClO
Exact Mass 248.096793 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWUJfItyISM
Name 3-(4-Chlorobenzyl)-5,5-dimethyl-2-cyclohexen-1-one
CAS Registry Number 58240-97-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17ClO
InChI InChI=1S/C15H17ClO/c1-15(2)9-12(8-14(17)10-15)7-11-3-5-13(16)6-4-11/h3-6,8H,7,9-10H2,1-2H3
InChIKey QHPKZVVZBBOKHL-UHFFFAOYSA-N
Molecular Weight 248.753 g/mol
SMILES CC1(C)CC(=CC(C1)=O)Cc1ccc(cc1)Cl
SPLASH splash10-054p-1950000000-25208908aec533f7ec48
Source of Spectrum J-41-1527-0
Synonyms 2-Cyclohexen-1-one, 3-[(4-chlorophenyl)methyl]-5,5-dimethyl- 3-(4-Chlorobenzyl)-5,5-dimethyl-cyclohex-2-en-1-one 3-(p-Chlorobenzyl)-5,5-dimethyl-2-cyclohexen-1-one 3-[(4-chlorophenyl)methyl]-5,5-dimethyl-1-cyclohex-2-enone 3-[(4-chlorophenyl)methyl]-5,5-dimethyl-cyclohex-2-en-1-one
Wiley ID 1251215