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PARATHIOL-O-ETHYL-O-METHYL
SpectraBase Compound ID JMshDekegQY
InChI InChI=1S/C9H12NO5PS/c1-3-14-16(17,13-2)15-9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3
InChIKey NABCJYMXPFVERX-UHFFFAOYSA-N
Mol Weight 277.23 g/mol
Molecular Formula C9H12NO5PS
Exact Mass 277.017381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUWsnvKCwXT
Name PARATHIOL-O-ETHYL-O-METHYL
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 277.017380657 u
Formula C9H12NO5PS
InChI InChI=1S/C9H12NO5PS/c1-3-14-16(17,13-2)15-9-6-4-8(5-7-9)10(11)12/h4-7H,3H2,1-2H3
InChIKey NABCJYMXPFVERX-UHFFFAOYSA-N
Molecular Weight 277.231 g/mol
Nominal Mass 277 u
Number of Peaks 95
SMILES c1c(OP(OC)(OCC)=S)ccc(c1)[N+]([O-])=O
SPLASH splash10-03di-2940000000-f23b92712a2ea7b9ade9
Source of Spectrum Dr. Rolf Kuehnle
Synonyms O-ethyl O-methyl O-(4-nitrophenyl) thiophosphate
Technique GC-EI-MODE/QUAD
Wiley ID WID_MSPA_4561