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4-(diphenoxyphosphinothioylsulfamoyl)benzoic acid
SpectraBase Compound ID 4HM0bKHFQbT
InChI InChI=1S/C19H16NO6PS2/c21-19(22)15-11-13-18(14-12-15)29(23,24)20-27(28,25-16-7-3-1-4-8-16)26-17-9-5-2-6-10-17/h1-14H,(H,20,28)(H,21,22)
InChIKey GMCBYVKFJOYFHR-UHFFFAOYSA-N
Mol Weight 449.43 g/mol
Molecular Formula C19H16NO6PS2
Exact Mass 449.015667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwbMVVYUECM
Name 4-(diphenoxyphosphinothioylsulfamoyl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16NO6PS2
InChI InChI=1S/C19H16NO6PS2/c21-19(22)15-11-13-18(14-12-15)29(23,24)20-27(28,25-16-7-3-1-4-8-16)26-17-9-5-2-6-10-17/h1-14H,(H,20,28)(H,21,22)
InChIKey GMCBYVKFJOYFHR-UHFFFAOYSA-N
Instrument Name Varian MAT-311
Ionization Type EI
Literature Reference DOI 10.1002_(SICI)1097-0231(19981130)12_22_1808
Molecular Weight 449.432 g/mol
SMILES N(P(Oc1ccccc1)(Oc1ccccc1)=S)S(c1ccc(C(=O)O)cc1)(=O)=O
SPLASH splash10-00p3-9300000000-609fbd2de6c531acc8a8
Source of Spectrum RCM-12-1809-1
Wiley ID 1837804