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trans-2-(.alpha.-Diethoxyphosphoryl-3-nitrobenzyloxy)-4-phenyl-5,5-dimethyl-1,3,2.lamda.(5)-dioxaphosphorinane-2-thione
SpectraBase Compound ID Ek7XWUJyYN3
InChI InChI=1S/C22H29NO8P2S/c1-5-27-32(26,28-6-2)21(18-13-10-14-19(15-18)23(24)25)31-33(34)29-16-22(3,4)20(30-33)17-11-8-7-9-12-17/h7-15,20-21H,5-6,16H2,1-4H3/t20-,21?,33+/m0/s1
InChIKey HFRBETJNNVMSDV-VZDSCHMNSA-N
Mol Weight 529.48 g/mol
Molecular Formula C22H29NO8P2S
Exact Mass 529.108912 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbuzZw6P1EG
Name trans-2-(.alpha.-Diethoxyphosphoryl-3-nitrobenzyloxy)-4-phenyl-5,5-dimethyl-1,3,2.lamda.(5)-dioxaphosphorinane-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO8P2S
InChI InChI=1S/C22H29NO8P2S/c1-5-27-32(26,28-6-2)21(18-13-10-14-19(15-18)23(24)25)31-33(34)29-16-22(3,4)20(30-33)17-11-8-7-9-12-17/h7-15,20-21H,5-6,16H2,1-4H3/t20-,21?,33+/m0/s1
InChIKey HFRBETJNNVMSDV-VZDSCHMNSA-N
Molecular Weight 529.481 g/mol
SMILES C(O[P@@]1(O[C@@](c2ccccc2)(C(CO1)(C)C)[H])=S)(P(=O)(OCC)OCC)c1cc(N(=O)=O)ccc1
SPLASH splash10-05mp-3900000000-ba4527d073b87c670f90
Source of Spectrum KC-20-2920-7
Synonyms Diethyl[(5,5-dimethyl-4-phenyl-2-sulfido-1,3,2-dioxaphosphorinan-2-yl)oxy](3-nitrophenyl)methylphosphonate trans-2-(.alpha.-Diethoxyphosphoryl-3-nitrobenzyloxy)-4-phenyl-5,5-dimethyl-1,3,2.lambda.(5)-dioxaphosphorinane-2-thione
Wiley ID 826553