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methyl 4-(diphenoxyphosphinothioylsulfamoyl)benzoate
SpectraBase Compound ID rgKbgwMRxN
InChI InChI=1S/C20H18NO6PS2/c1-25-20(22)16-12-14-19(15-13-16)30(23,24)21-28(29,26-17-8-4-2-5-9-17)27-18-10-6-3-7-11-18/h2-15H,1H3,(H,21,29)
InChIKey RPRYSJPLGAQKJJ-UHFFFAOYSA-N
Mol Weight 463.46 g/mol
Molecular Formula C20H18NO6PS2
Exact Mass 463.031317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ffvge95guI8
Name methyl 4-(diphenoxyphosphinothioylsulfamoyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18NO6PS2
InChI InChI=1S/C20H18NO6PS2/c1-25-20(22)16-12-14-19(15-13-16)30(23,24)21-28(29,26-17-8-4-2-5-9-17)27-18-10-6-3-7-11-18/h2-15H,1H3,(H,21,29)
InChIKey RPRYSJPLGAQKJJ-UHFFFAOYSA-N
Instrument Name Varian MAT-311
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19981130)12_22_1808
Molecular Weight 463.459 g/mol
SMILES N(P(Oc1ccccc1)(Oc1ccccc1)=S)S(c1ccc(cc1)C(=O)OC)(=O)=O
SPLASH splash10-0ug1-7913000000-766795f18e2b2a0f4028
Source of Spectrum RCM-12-1809-2
Wiley ID 1837805