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4-(diethoxyphosphinothioylsulfamoyl)benzoic acid
SpectraBase Compound ID 8kux1b6Xipj
InChI InChI=1S/C11H16NO6PS2/c1-3-17-19(20,18-4-2)12-21(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,12,20)(H,13,14)
InChIKey HDHUWQQAYWJLCV-UHFFFAOYSA-N
Mol Weight 353.34 g/mol
Molecular Formula C11H16NO6PS2
Exact Mass 353.015667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBbRDbvo5Ml
Name 4-(diethoxyphosphinothioylsulfamoyl)benzoic acid
Alternate Name(s) 4-(N-(diethoxyphosphorothioyl)sulfamoyl)benzoic acid
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Formula C11H16NO6PS2
InChI InChI=1S/C11H16NO6PS2/c1-3-17-19(20,18-4-2)12-21(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,12,20)(H,13,14)
InChIKey HDHUWQQAYWJLCV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.696
Molecular Weight 353.344 g/mol
SMILES N(P(OCC)(=S)OCC)S(c1ccc(C(=O)O)cc1)(=O)=O
SPLASH splash10-00m0-6960000000-3112303e5a85aaab909c
Source of Spectrum RCM-16-1181-2
Wiley ID 1819731