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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-4-phenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alp ha.)-(.+-.)-
SpectraBase Compound ID CbQRjEiOva0
InChI InChI=1S/C20H16N2O7/c1-28-19(25)20(12-5-3-2-4-6-12)15-14(17(23)29-18(15)24)16(21-20)11-7-9-13(10-8-11)22(26)27/h2-10,14-16,21H,1H3
InChIKey UGZISONHHQGACI-UHFFFAOYSA-N
Mol Weight 396.36 g/mol
Molecular Formula C20H16N2O7
Exact Mass 396.095751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cVyXyTJdy5
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-4-phenyl-, methyl ester, (3a.alpha.,4.beta.,6.beta.,6a.alp ha.)-(.+-.)-
CAS Registry Number 113430-26-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16N2O7
InChI InChI=1S/C20H16N2O7/c1-28-19(25)20(12-5-3-2-4-6-12)15-14(17(23)29-18(15)24)16(21-20)11-7-9-13(10-8-11)22(26)27/h2-10,14-16,21H,1H3
InChIKey UGZISONHHQGACI-UHFFFAOYSA-N
Molecular Weight 396.355 g/mol
SMILES N1C(C2C(C1(C(=O)OC)c1ccccc1)C(OC2=O)=O)c1ccc(N(=O)=O)cc1
SPLASH splash10-000i-0009000000-f175bcbe0895482b3498
Source of Spectrum KC-1987-2293-16
Synonyms methyl 6-(4-nitrophenyl)-1,3-dioxo-4-phenylhexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate Methyl c-4-(4-nitrophenyl)-6,8-dioxo-2-phenyl-7-oxa-3-azabicyclo[3.3.0]octane-2-carboxylate
Wiley ID 1367353