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Phosphorothioic acid, O-(3-chloro-4-nitrophenyl) O,O-dimethyl ester
SpectraBase Compound ID 2ZiB2KfS9ZM
InChI InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKey NZNRRXXETLSZRO-UHFFFAOYSA-N
Mol Weight 297.65 g/mol
Molecular Formula C8H9ClNO5PS
Exact Mass 296.962758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HzA4Hko12MA
Name CHLOROTHIONE 2
CAS Registry Number 500-28-7
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 296.962758261 u
Formula C8H9ClNO5PS
InChI InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKey NZNRRXXETLSZRO-UHFFFAOYSA-N
Molecular Weight 297.649 g/mol
Nominal Mass 297 u
Number of Peaks 101
SMILES COP(OC)(Oc1ccc(c(c1)Cl)[N+]([O-])=O)=S
SPLASH splash10-004i-4930000000-85a429c9e7ccced1ac0d
Source of Spectrum Dr. Rolf Kuehnle
Synonyms O-(3-chloro-4-nitrophenyl) O,O-dimethyl thiophosphate
Technique GC/MS
Wiley ID WID_MSPA_3656