For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[(aminomethoxyphosphinothioyl)oxy]-benzoic acid methyl ester
SpectraBase Compound ID 8pF25m61P3A
InChI InChI=1S/C9H12NO4PS/c1-12-9(11)7-5-3-4-6-8(7)14-15(10,16)13-2/h3-6H,1-2H3,(H2,10,16)
InChIKey YPONVGNSHPUIOP-UHFFFAOYSA-N
Mol Weight 261.23 g/mol
Molecular Formula C9H12NO4PS
Exact Mass 261.022466 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID JDahgtKSUXh
Name 2-[(aminomethoxyphosphinothioyl)oxy]-benzoic acid methyl ester
Source of Sample Artifact of Isocarbophos
CAS Registry Number 97586-77-1
Classification Pesticides: Artifacts, Degradation product
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 261.022466038 u
Formula C9H12NO4PS
InChI InChI=1S/C9H12NO4PS/c1-12-9(11)7-5-3-4-6-8(7)14-15(10,16)13-2/h3-6H,1-2H3,(H2,10,16)
InChIKey YPONVGNSHPUIOP-UHFFFAOYSA-N
Molecular Weight 261.232 g/mol
Number of Peaks 175
RI1 1906
SMILES NP(=S)(OC)Oc1c(C(=O)OC)cccc1
SPLASH splash10-03dr-5920000000-ca9cc3ff238d41977083
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Benzoic acid, 2-[(aminomethoxyphosphinothioyl)oxy]-, methyl ester
Wiley ID LM_PEST_1065