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2-(2-Hydroxy-1-methylpropyl)-N-methylthiobenzamide isomer
SpectraBase Compound ID EclOJmBW8xJ
InChI InChI=1S/C12H17NOS/c1-8(9(2)14)10-6-4-5-7-11(10)12(15)13-3/h4-9,14H,1-3H3,(H,13,15)
InChIKey ITYVZUIGYBXBQN-UHFFFAOYSA-N
Mol Weight 223.33 g/mol
Molecular Formula C12H17NOS
Exact Mass 223.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYdt2VeTF4s
Name 2-(2-Hydroxy-1-methylpropyl)-N-methylthiobenzamide isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NOS
InChI InChI=1S/C12H17NOS/c1-8(9(2)14)10-6-4-5-7-11(10)12(15)13-3/h4-9,14H,1-3H3,(H,13,15)
InChIKey ITYVZUIGYBXBQN-UHFFFAOYSA-N
Molecular Weight 223.334 g/mol
SMILES N(C(c1c(C(C(O)C)C)cccc1)=S)C
SPLASH splash10-00di-0900000000-30cc21b0765ddb46942e
Source of Spectrum U1-2002-2584-44
Synonyms 2-(2-hydroxy-1-methyl-propyl)-N-methyl-benzenecarbothioamide 2-(3-hydroxybutan-2-yl)-N-methylbenzenecarbothioamide N-methyl-2-(3-oxidanylbutan-2-yl)benzenecarbothioamide
Wiley ID 1522896