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3-Methyl-1-butanethiol
SpectraBase Compound ID 24vvgpOPtK9
InChI InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey GIJGXNFNUUFEGH-UHFFFAOYSA-N
Mol Weight 104.21 g/mol
Molecular Formula C5H12S
Exact Mass 104.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWvMMZXUitl
Name 1-Butanethiol, 3-methyl-
Alternate Name(s) 3-Methyl-1-butanethiol 2-Methyl-4-butanethiol 3-Methylbutane-1-thiol 3-Methylbutanethiol Isopentyl mercaptan Isoamyl mercaptan Isoamyl sulfhydrate 3-Methyl-1-butylthiol EINECS 208-774-3
CAS Registry Number 541-31-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H12S
InChI InChI=1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey GIJGXNFNUUFEGH-UHFFFAOYSA-N
Molecular Weight 104.211 g/mol
SMILES SCCC(C)C
SPLASH splash10-05bf-9000000000-83fa8991e52baa65442e
Source of Spectrum AA-0-304-3
Wiley ID 2144