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(1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-1,1-dimethylethyl octahydro-1-(diphenylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate

View entire compound with spectra: 1 MS (GC)

(1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-1,1-dimethylethyl octahydro-1-(diphenylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID BhdnG8tFwpV
InChI InChI=1S/C35H33N2O5P/c1-34(2,3)42-33(40)35(43(41,26-20-12-6-13-21-26)27-22-14-7-15-23-27)29-28(30(36-35)24-16-8-4-9-17-24)31(38)37(32(29)39)25-18-10-5-11-19-25/h4-23,28-30,36H,1-3H3/t28-,29-,30-,35-/m0/s1
InChIKey YNEUJJNTWADLBK-DWNBPJMTSA-N
Mol Weight 592.6 g/mol
Molecular Formula C35H33N2O5P
Exact Mass 592.212709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HElTJ7bgHRg
Name (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-1,1-dimethylethyl octahydro-1-(diphenylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate
CAS Registry Number 127304-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H33N2O5P
InChI InChI=1S/C35H33N2O5P/c1-34(2,3)42-33(40)35(43(41,26-20-12-6-13-21-26)27-22-14-7-15-23-27)29-28(30(36-35)24-16-8-4-9-17-24)31(38)37(32(29)39)25-18-10-5-11-19-25/h4-23,28-30,36H,1-3H3/t28-,29-,30-,35-/m0/s1
InChIKey YNEUJJNTWADLBK-DWNBPJMTSA-N
Molecular Weight 592.632 g/mol
SMILES N1[C@]([C@@]2([C@]([C@]1(P(=O)(c1ccccc1)c1ccccc1)C(OC(C)(C)C)=O)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0udi-7590000000-f89c6f4ec73e518b7f09
Source of Spectrum J-55-4068-10
Synonyms tert-Butyl (1S,3R,3aS,6aS)-1-(diphenylphosphoryl)-4,6-dioxo-3,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Wiley ID 1409513