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(1.alpha.,3.alpha.,3a.alpha.,6a.beta)-methyl 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.alpha.,3a.alpha.,6a.beta)-methyl octahydro-1-(diphenylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate
SpectraBase Compound ID DvNg8uJAqXX
InChI InChI=1S/C32H27N2O5P/c1-39-31(37)32(40(38,24-18-10-4-11-19-24)25-20-12-5-13-21-25)27-26(28(33-32)22-14-6-2-7-15-22)29(35)34(30(27)36)23-16-8-3-9-17-23/h2-21,26-28,33H,1H3/t26-,27+,28+,32-/m0/s1
InChIKey KADFPUNKRVBMJB-REKFDVGBSA-N
Mol Weight 550.6 g/mol
Molecular Formula C32H27N2O5P
Exact Mass 550.165759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0Z2ZM3bGAU
Name (1.alpha.,3.alpha.,3a.alpha.,6a.beta)-methyl octahydro-1-(diphenylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate
CAS Registry Number 127304-49-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H27N2O5P
InChI InChI=1S/C32H27N2O5P/c1-39-31(37)32(40(38,24-18-10-4-11-19-24)25-20-12-5-13-21-25)27-26(28(33-32)22-14-6-2-7-15-22)29(35)34(30(27)36)23-16-8-3-9-17-23/h2-21,26-28,33H,1H3/t26-,27+,28+,32-/m0/s1
InChIKey KADFPUNKRVBMJB-REKFDVGBSA-N
Molecular Weight 550.551 g/mol
SMILES N1[C@@]([C@@]2([C@@]([C@]1(P(=O)(c1ccccc1)c1ccccc1)C(=O)OC)(C(N(C2=O)c1ccccc1)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0udi-6982000000-c0c0d34c9de90f8f07d7
Source of Spectrum J-55-4067-9
Synonyms (1.alpha.,3.alpha.,3a.alpha.,6a.beta)-methyl octahydro-1-(dipehnylphosphinoyl)-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate Methyl (1S,3S,3aS,6aR)-1-(diphenylphosphoryl)-4,6-dioxo-3,5-diphenyloctahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Wiley ID 1405752