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1-Butanone, 2-chloro-3-methyl-1-phenyl-
SpectraBase Compound ID EMMvRSp3WUm
InChI InChI=1S/C11H13ClO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey KSZGGCLORDNCBR-UHFFFAOYSA-N
Mol Weight 196.68 g/mol
Molecular Formula C11H13ClO
Exact Mass 196.065493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KM8lRocPrEy
Name 1-Butanone, 2-chloro-3-methyl-1-phenyl-
Alternate Name(s) 2-Chloro-3-methyl-1-phenyl-1-butanone 2-Chloranyl-3-methyl-1-phenyl-butan-1-one 2-Chloro-3-methyl-1-phenyl-butan-1-one
CAS Registry Number 78706-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13ClO
InChI InChI=1S/C11H13ClO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey KSZGGCLORDNCBR-UHFFFAOYSA-N
Molecular Weight 196.677 g/mol
SMILES CC(C)C(C(c1ccccc1)=O)Cl
SPLASH splash10-0a6r-7900000000-c0fe8b9cd083941d0b56
Source of Spectrum J-47-1883-0
Wiley ID 1192997