| SpectraBase Spectrum ID |
2nAjVqKjgO9 |
| Name |
Diethyl (1R*,3R*,3ar*,6as*)-5-benzyl-4,6-dioxooctahydro pyrrolo[3,4-C]pyrrole-1,3-dicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.147786430 u |
| Formula |
C19H22N2O6 |
| InChI |
InChI=1S/C19H22N2O6/c1-3-26-18(24)14-12-13(15(20-14)19(25)27-4-2)17(23)21(16(12)22)10-11-8-6-5-7-9-11/h5-9,12-15,20H,3-4,10H2,1-2H3/t12-,13+,14-,15-/m0/s1 |
| InChIKey |
QZQMLHBYXLQTKD-XGUBFFRZSA-N |
| Molecular Weight |
374.393 g/mol |
| SMILES |
[C@]12([C@](C(N(C2=O)CC2=CC=CC=C2)=O)([C@](N[C@@]1(C(=O)OCC)[H])(C(OCC)=O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947271 |
![Diethyl (1R*,3R*,3ar*,6as*)-5-benzyl-4,6-dioxooctahydro pyrrolo[3,4-C]pyrrole-1,3-dicarboxylate](/api/spectrum/2nAjVqKjgO9/structure.png?h=300&w=458 "Diethyl (1R*,3R*,3ar*,6as*)-5-benzyl-4,6-dioxooctahydro pyrrolo[3,4-C]pyrrole-1,3-dicarboxylate")
