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O-Butyl-S-(2-diethylaminoethyl)methylphosphonothiolate
SpectraBase Compound ID 9k1rXSMeQlD
InChI InChI=1S/C11H26NO2PS/c1-5-8-10-14-15(4,13)16-11-9-12(6-2)7-3/h5-11H2,1-4H3
InChIKey BTVFLPKWKJBKNN-UHFFFAOYSA-N
Mol Weight 267.37 g/mol
Molecular Formula C11H26NO2PS
Exact Mass 267.142187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEtmqwvBB7g
Name O-Butyl-S-(2-diethylaminoethyl)methylphosphonothiolate
Classification Chemical warfare agent
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 267.142187251 u
Formula C11H26NO2PS
InChI InChI=1S/C11H26NO2PS/c1-5-8-10-14-15(4,13)16-11-9-12(6-2)7-3/h5-11H2,1-4H3
InChIKey BTVFLPKWKJBKNN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 267.368 g/mol
Nominal Mass 267 u
Quality 950
Retention Index 1830
SMILES C(SP(OCCCC)(=O)C)CN(CC)CC
SPLASH splash10-000i-9000000000-ad7b886f3a379f4bb158
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms O-(n-Butyl) S-[2-(diethylamino)ethyl]-methanephosphinonothioate V-gas Chin O-butyl S-(2-(diethylamino)ethyl) methylphosphonothioate
Technique GC/MS
Wiley ID DD2024_003343