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3-[(4-chlorophenyl)methyl]-3,5,5-trimethylcyclohexanone
SpectraBase Compound ID JBwhuLmruvi
InChI InChI=1S/C16H21ClO/c1-15(2)9-14(18)10-16(3,11-15)8-12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChIKey IIKHDPGPGDMRNJ-UHFFFAOYSA-N
Mol Weight 264.8 g/mol
Molecular Formula C16H21ClO
Exact Mass 264.128093 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESvP4VKKdvE
Name 3-[(4-chlorophenyl)methyl]-3,5,5-trimethylcyclohexanone
CAS Registry Number 58240-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21ClO
InChI InChI=1S/C16H21ClO/c1-15(2)9-14(18)10-16(3,11-15)8-12-4-6-13(17)7-5-12/h4-7H,8-11H2,1-3H3
InChIKey IIKHDPGPGDMRNJ-UHFFFAOYSA-N
Molecular Weight 264.796 g/mol
SMILES C1(CC(C)(C)CC(C1)=O)(Cc1ccc(cc1)Cl)C
SPLASH splash10-0a7i-9700000000-41b79c90a83ef844b3fa
Source of Spectrum J-41-1527-0
Synonyms 3-(4-Chlorobenzyl)-3,5,5-trimethylcyclohexanone
Wiley ID 1268186