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O-Cyclopentyl-S-(2-diethylaminoethyl)methylphosphonothiolate
SpectraBase Compound ID 2aIcitwalu4
InChI InChI=1S/C12H26NO2PS/c1-4-13(5-2)10-11-17-16(3,14)15-12-8-6-7-9-12/h12H,4-11H2,1-3H3
InChIKey PMVOUPZOZITGTQ-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C12H26NO2PS
Exact Mass 279.142187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KBbUn80FYe
Name O-Cyclopentyl-S-(2-diethylaminoethyl)methylphosphonothiolate
Classification Chemical warfare agent
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 279.142187251 u
Formula C12H26NO2PS
InChI InChI=1S/C12H26NO2PS/c1-4-13(5-2)10-11-17-16(3,14)15-12-8-6-7-9-12/h12H,4-11H2,1-3H3
InChIKey PMVOUPZOZITGTQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 279.379 g/mol
Nominal Mass 279 u
Quality 956
Retention Index 1959
SMILES C1(OP(SCCN(CC)CC)(=O)C)CCCC1
SPLASH splash10-000i-9000000000-ae545140006b222723ae
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms V12 O-cyclopentyl S-(2-(diethylamino)ethyl) methylphosphonothioate
Technique GC/MS
Wiley ID DD2024_003345