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3-(Chloromethyl)-4-hydroxy-4-(4'-ethylphenyl)-2-butanone
SpectraBase Compound ID 67tXeSHd9Mh
InChI InChI=1S/C13H17ClO2/c1-3-10-4-6-11(7-5-10)13(16)12(8-14)9(2)15/h4-7,12-13,16H,3,8H2,1-2H3
InChIKey XLGLRFZLZWQQBP-UHFFFAOYSA-N
Mol Weight 240.73 g/mol
Molecular Formula C13H17ClO2
Exact Mass 240.091707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KpfKnizWW2
Name 3-(Chloromethyl)-4-hydroxy-4-(4'-ethylphenyl)-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17ClO2
InChI InChI=1S/C13H17ClO2/c1-3-10-4-6-11(7-5-10)13(16)12(8-14)9(2)15/h4-7,12-13,16H,3,8H2,1-2H3
InChIKey XLGLRFZLZWQQBP-UHFFFAOYSA-N
Molecular Weight 240.730 g/mol
SMILES OC(C(C(C)=O)CCl)c1ccc(cc1)CC
SPLASH splash10-000i-0900000000-3345932a0fda138d85b0
Source of Spectrum J-66-410-1
Synonyms 3-(chloromethyl)-4-(4-ethylphenyl)-4-hydroxy-2-butanone syn-3-(Chloromethyl)-4-hydroxy-4-(4'-ethylphenyl)-2-butanone
Wiley ID 1534258