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phosphorothioic acid, O,O-dimethyl O-(p-nitrophenyl) ester
SpectraBase Compound ID 2buQP93Pnu4
InChI InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChIKey RLBIQVVOMOPOHC-UHFFFAOYSA-N
Mol Weight 263.2 g/mol
Molecular Formula C8H10NO5PS
Exact Mass 263.001731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GW5KEXgMRY8
Name Parathion-methyl
CAS Registry Number 298-00-0
Classification Insecticide
Comments Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 263.001730593 u
Formula C8H10NO5PS
InChI InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChIKey RLBIQVVOMOPOHC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 263.204 g/mol
Nominal Mass 263 u
Quality 1000
Retention Index 1845
SMILES C1(OP(OC)(OC)=S)=CC=C([N+](=O)[O-])C=C1
SPLASH splash10-06vi-6930000000-c468c95ad96596b22710
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Methyl parathion Dimethoxy-(4-nitrophenoxy)sulfanylidene-phosphorane
Technique GC/MS
Wiley ID DD2024_007436