| SpectraBase Spectrum ID |
GvwOCnPTFeo |
| Name |
4H-Furo[3,4-C]pyrrole-4,4-dicarboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-, diethyl ester, (3A.alpha.,6.beta.,6A.alpha.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.101230159 u |
| Formula |
C18H18N2O9 |
| InChI |
InChI=1S/C18H18N2O9/c1-3-27-16(23)18(17(24)28-4-2)12-11(14(21)29-15(12)22)13(19-18)9-5-7-10(8-6-9)20(25)26/h5-8,11-13,19H,3-4H2,1-2H3/t11-,12-,13-/m1/s1 |
| InChIKey |
ZFCIZQRJICLNGH-JHJVBQTASA-N |
| Molecular Weight |
406.347 g/mol |
| SMILES |
C1([C@@]2([C@](C(=O)OC2=O)([H])[C@](N1)(C1=CC=C(N(=O)=O)C=C1)[H])[H])(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.992648 |
![4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-](/api/spectrum/GvwOCnPTFeo/structure.png?h=300&w=458 "4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-6-(4-nitrophenyl)-1,3-dioxo-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-")
