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3-(Chloromethyl)-4-hydroxy-4-(4'-trifluoromethylphenyl)-2-butanone
SpectraBase Compound ID Bg5dLMyan63
InChI InChI=1S/C12H12ClF3O2/c1-7(17)10(6-13)11(18)8-2-4-9(5-3-8)12(14,15)16/h2-5,10-11,18H,6H2,1H3
InChIKey FPRNIDGLWVJTOI-UHFFFAOYSA-N
Mol Weight 280.67 g/mol
Molecular Formula C12H12ClF3O2
Exact Mass 280.047792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YdLdvv6nRs
Name 3-(Chloromethyl)-4-hydroxy-4-(4'-trifluoromethylphenyl)-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClF3O2
InChI InChI=1S/C12H12ClF3O2/c1-7(17)10(6-13)11(18)8-2-4-9(5-3-8)12(14,15)16/h2-5,10-11,18H,6H2,1H3
InChIKey FPRNIDGLWVJTOI-UHFFFAOYSA-N
Molecular Weight 280.674 g/mol
SMILES OC(C(C(C)=O)CCl)c1ccc(cc1)C(F)(F)F
SPLASH splash10-0006-9030000000-7a26801ea353ab8a70e8
Source of Spectrum J-66-410-1
Synonyms 3-(chloromethyl)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]-2-butanone syn-3-(Chloromethyl)-4-hydroxy-4-(4'-trifluoromethylphenyl)-2-butanone
Wiley ID 1534261