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(3-ALPHA,3A-BETA,6A-BETA)-1,1-DIMETHYLETHYL-HEXAHYDRO-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE
SpectraBase Compound ID 9r5vEKt04wr
InChI InChI=1S/C23H22N2O4/c1-23(2,3)29-22(28)19-17-16(18(24-19)14-10-6-4-7-11-14)20(26)25(21(17)27)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3/t16-,17+,18-/m1/s1
InChIKey CXAFKEQEGLASGQ-FGTMMUONSA-N
Mol Weight 390.44 g/mol
Molecular Formula C23H22N2O4
Exact Mass 390.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4kDOgBk4Mj
Name Pyrrolo[3,4-c]pyrrole-1-carboxylic acid, 3,3a,4,5,6,6a-hexahydro-4,6-dioxo-3,5-diphenyl-, 1,1-dimethylethyl ester, (3.alpha.,3a.beta.,6a.beta.)-
CAS Registry Number 127208-05-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O4
InChI InChI=1S/C23H22N2O4/c1-23(2,3)29-22(28)19-17-16(18(24-19)14-10-6-4-7-11-14)20(26)25(21(17)27)15-12-8-5-9-13-15/h4-13,16-18H,1-3H3/t16-,17+,18-/m1/s1
InChIKey CXAFKEQEGLASGQ-FGTMMUONSA-N
Molecular Weight 390.439 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)c2ccccc2)([C@@](c2ccccc2)(N=C1C(OC(C)(C)C)=O)[H])[H])[H]
SPLASH splash10-067i-4709000000-dac3cf5f9f4410fc23c2
Source of Spectrum J-55-4068-11
Synonyms (3.alpha.,3a.beta.,6a.beta.)-1,1-dimethylethyl hexahydro-4,6-dioxo-3,5-diphenylpyrrolo[3,4-c]pyrrole-1-carboxylate tert-Butyl (3S,3aR,6aS)-4,6-dioxo-3,5-diphenyl-3,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrrole-1-carboxylate
Wiley ID 1364935