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methyl-4-(butylthio)-2-hydroxybutanoate
SpectraBase Compound ID Gw6ITpOM0ps
InChI InChI=1S/C9H18O3S/c1-3-4-6-13-7-5-8(10)9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKey ITXFSKYVGCIXMM-UHFFFAOYSA-N
Mol Weight 206.3 g/mol
Molecular Formula C9H18O3S
Exact Mass 206.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzivrWuM3UW
Name methyl-4-(butylthio)-2-hydroxybutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3S
InChI InChI=1S/C9H18O3S/c1-3-4-6-13-7-5-8(10)9(11)12-2/h8,10H,3-7H2,1-2H3
InChIKey ITXFSKYVGCIXMM-UHFFFAOYSA-N
Instrument Name Agilent 6890 GC
Ionization Type EI
Literature Reference DOI 10.1002/cctc.202101730
Molecular Weight 206.300 g/mol
SMILES OC(C(OC)=O)CCSCCCC
SPLASH splash10-0a4l-9310000000-57b7e885af627ba3d248
Source of Spectrum CCC-14-SM14-MBTHB
Wiley ID 1871803