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4-Mercapto-4-methyl-2-pentanone
SpectraBase Compound ID GXHvrLwpOp
InChI InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N
Mol Weight 132.22 g/mol
Molecular Formula C6H12OS
Exact Mass 132.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L5qO11YI9cl
Name 2-Pentanone, 4-mercapto-4-methyl-
CAS Registry Number 19872-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12OS
InChI InChI=1S/C6H12OS/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3
InChIKey QRNZMFDCKKEPSX-UHFFFAOYSA-N
Molecular Weight 132.221 g/mol
SMILES CC(=O)CC(C)(C)S
SPLASH splash10-0006-9100000000-a3c6a5a036bf9b4a23c5
Source of Spectrum EP-2281-0-0
Synonyms 4-Methyl-4-sulfanyl-2-pentanone 4-Mercapto-4-methyl-2-pentanone 4-Mercapto-4-methyl-pentan-2-one 4-Methyl-4-mercapto-pentan-2-one 4-Methyl-4-sulfanyl-pentan-2-one 4-Methyl-4-thiolpentan-2-one EINECS 243-386-8
Wiley ID 1133668