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O-butyl S-methyl methylphosphonothioate
SpectraBase Compound ID JcJxgFKI1Jx
InChI InChI=1S/C6H15O2PS/c1-4-5-6-8-9(2,7)10-3/h4-6H2,1-3H3
InChIKey OASMBJWHVLOGSQ-UHFFFAOYSA-N
Mol Weight 182.22 g/mol
Molecular Formula C6H15O2PS
Exact Mass 182.053038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o6MJ2sMuSe
Name O-Butyl-S-methyl-methylphosphonothiolate
Classification Chemical warfare agent artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 182.053037893 u
Formula C6H15O2PS
InChI InChI=1S/C6H15O2PS/c1-4-5-6-8-9(2,7)10-3/h4-6H2,1-3H3
InChIKey OASMBJWHVLOGSQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 182.218 g/mol
Nominal Mass 182 u
Quality 928
Retention Index 1158
SMILES C(OP(SC)(=O)C)CCC
SPLASH splash10-004i-9600000000-0d4ec069af8ae7652099
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Toxic hydrolysis product of Chin.V-gas O-butyl S-methyl methylphosphonothioate
Technique GC/MS
Wiley ID DD2024_003344