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2-Pentanethiol, 4-methyl-
SpectraBase Compound ID 4AmSwbJHxDP
InChI InChI=1S/C6H14S/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
InChIKey JBCIMWBQDMBMMP-UHFFFAOYSA-N
Mol Weight 118.24 g/mol
Molecular Formula C6H14S
Exact Mass 118.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fdgeYBSNs
Name 2-Pentanethiol, 4-methyl-
Alternate Name(s) 4-Methyl-2-pentanethiol 1,3-Dimethylbutyl hydrosulfide 4-Methylpentane-2-thiol
CAS Registry Number 1639-05-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H14S
InChI InChI=1S/C6H14S/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3
InChIKey JBCIMWBQDMBMMP-UHFFFAOYSA-N
Molecular Weight 118.238 g/mol
SMILES SC(CC(C)C)C
SPLASH splash10-0006-9000000000-9ba9cfd29dc753ee75e6
Source of Spectrum AA-0-460-2
Wiley ID 3831