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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36Oh2GSFAHa
Name (3-ALPHA,3A-BETA,6A-BETA)-1,1-DIMETHYLETHYL-HEXAHYDRO-4,6-DIOXO-3,5-DIPHENYL-PYRROLO-[3,4-C]-PYRROLE-1-CARBOXYLATE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author J.J.G.S.VANES,K.JAARSVELD,A.VANDERGEN
Literature Reference Citation J.ORG.CHEM.,55,4063(1990)
Literature Reference DOI 10.1021/jo00300a022
Molecular Weight 390.439 g/mol
Solvent CDCl3
Source File Reference UWCS14998