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phosphorothioic acid, O,O-dimethyl O-4-nitro-m-tolyl ester
SpectraBase Compound ID JQPNT1QaTLM
InChI InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKey ZNOLGFHPUIJIMJ-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 9RrB5Tr20fO
Name FENITROTHIONE 1
CAS Registry Number 122-14-5
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/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKey ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
Molecular Weight 277.231 g/mol
Nominal Mass 277 u
Number of Peaks 90
SMILES Cc1cc(ccc1[N+]([O-])=O)OP(OC)(OC)=S
SPLASH splash10-004i-7960000000-e3d632029821a3c61747
Source of Spectrum Dr. Rolf Kuehnle
Synonyms O,O-dimethyl O-(3-methyl-4-nitrophenyl) thiophosphate O,O-dimethyl O-4-nitro-m-tolyl phosphorothioate O,O-dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate
Technique GC/MS
Wiley ID WID_MSPA_3415