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(1-ALPHA,3-ALPHA,3A-BETA,6A-BETA)-PHENYLMETHYL-OCTAHYDRO-1-(DIPHENYLPHOSPHINOYL)-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

(1-ALPHA,3-ALPHA,3A-BETA,6A-BETA)-PHENYLMETHYL-OCTAHYDRO-1-(DIPHENYLPHOSPHINOYL)-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE
SpectraBase Compound ID G1qbQ8r2g9z
InChI InChI=1S/C38H31N2O5P/c41-35-32-33(36(42)40(35)29-20-10-3-11-21-29)38(39-34(32)28-18-8-2-9-19-28,37(43)45-26-27-16-6-1-7-17-27)46(44,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-34,39H,26H2/t32-,33-,34-,38?/m0/s1
InChIKey ILWQMQXYEXODKL-RLLZOUHWSA-N
Mol Weight 626.6 g/mol
Molecular Formula C38H31N2O5P
Exact Mass 626.197059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J04dYOEjFlf
Name (1.alpha.,3.beta.,3a.alpha.,6a.alpha.)-phenylmethyl octahydro-1-(diphenylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate
CAS Registry Number 127208-02-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H31N2O5P
InChI InChI=1S/C38H31N2O5P/c41-35-32-33(36(42)40(35)29-20-10-3-11-21-29)38(39-34(32)28-18-8-2-9-19-28,37(43)45-26-27-16-6-1-7-17-27)46(44,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-34,39H,26H2/t32-,33-,34-,38?/m0/s1
InChIKey ILWQMQXYEXODKL-RLLZOUHWSA-N
Molecular Weight 626.649 g/mol
SMILES N1[C@]([C@@]2([C@](C1(P(=O)(c1ccccc1)c1ccccc1)C(OCc1ccccc1)=O)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0udl-8490000000-51d4cc7ceca020e7e6eb
Source of Spectrum J-55-4068-10
Synonyms benzyl (3R,3aS,6aS)-1-(diphenylphosphoryl)-4,6-dioxo-3,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Wiley ID 1411906