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1,1,4-trichloro-3,3-dimethyl-1-(phenylthio)-2-butanone
SpectraBase Compound ID 5WrAKi9Vjxq
InChI InChI=1S/C12H13Cl3OS/c1-11(2,8-13)10(16)12(14,15)17-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey LIMGAKHGEWMYPV-UHFFFAOYSA-N
Mol Weight 311.65 g/mol
Molecular Formula C12H13Cl3OS
Exact Mass 309.975269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0BN24FQKFn
Name 1,1,4-trichloro-3,3-dimethyl-1-(phenylthio)-2-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13Cl3OS
InChI InChI=1S/C12H13Cl3OS/c1-11(2,8-13)10(16)12(14,15)17-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey LIMGAKHGEWMYPV-UHFFFAOYSA-N
Molecular Weight 311.654 g/mol
SMILES C(C(C(CCl)(C)C)=O)(Sc1ccccc1)(Cl)Cl
SPLASH splash10-05mo-9410000000-2a9f73680ed98dcec980
Source of Spectrum SK-22-3287-3
Synonyms 1,1,4-trichloro-3,3-dimethyl-1-(phenylthio)butan-2-one 1,1,4-trichloro-3,3-dimethyl-1-phenylsulfanyl-butan-2-one 1,1,4-tris(chloranyl)-3,3-dimethyl-1-phenylsulfanyl-butan-2-one
Wiley ID 852226