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3-(Chloromethyl)-4-hydroxy-4-phenyl-2-butanone

View entire compound with spectra: 3 MS (GC)

3-(Chloromethyl)-4-hydroxy-4-phenyl-2-butanone
SpectraBase Compound ID 8qQQTUjv7Em
InChI InChI=1S/C11H13ClO2/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h2-6,10-11,14H,7H2,1H3
InChIKey CTKODHMSQAAOTI-UHFFFAOYSA-N
Mol Weight 212.68 g/mol
Molecular Formula C11H13ClO2
Exact Mass 212.060407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1hspdrs7Ind
Name 3-(Chloromethyl)-4-hydroxy-4-phenyl-2-butanone
Alternate Name(s) anti-4-Hydroxy-3-(chloromethyl)-4-phenyl-2-butanone syn-4-Hydroxy-3-(chloromethyl)-4-phenyl-2-butanone syn-3-(Chloromethyl)-4-hydroxy-4-phenyl-2-butanone
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Formula C11H13ClO2
InChI InChI=1S/C11H13ClO2/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h2-6,10-11,14H,7H2,1H3
InChIKey CTKODHMSQAAOTI-UHFFFAOYSA-N
Molecular Weight 212.676 g/mol
SMILES OC(C(C(C)=O)CCl)c1ccccc1
SPLASH splash10-0bt9-0900000000-36994ad2de04a97db9aa
Source of Spectrum J-66-410-1
Wiley ID 1534257