| SpectraBase Spectrum ID |
5B8wfAAorbz |
| Name |
Methyl (1S*,3R*,3as*,6ar*)-3-(dimethoxymethyl)-1,5-dimethyl-4,6-dioxooctahydropyrrolo[3,4-C]pyrrole-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.132136366 u |
| Formula |
C13H20N2O6 |
| InChI |
InChI=1S/C13H20N2O6/c1-13(12(18)21-5)7-6(9(16)15(2)10(7)17)8(14-13)11(19-3)20-4/h6-8,11,14H,1-5H3/t6-,7-,8+,13-/m0/s1 |
| InChIKey |
SFRFHQJDXJBNER-UGNBQVLZSA-N |
| Molecular Weight |
300.311 g/mol |
| SMILES |
[C@@]12([C@@]([C@](C(OC)OC)(N[C@@]2(C(=O)OC)C)[H])(C(N(C1=O)C)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972079 |
![Methyl (1S*,3R*,3as*,6ar*)-3-(dimethoxymethyl)-1,5-dimethyl-4,6-dioxooctahydropyrrolo[3,4-C]pyrrole-1-carboxylate](/api/spectrum/5B8wfAAorbz/structure.png?h=300&w=458 "Methyl (1S*,3R*,3as*,6ar*)-3-(dimethoxymethyl)-1,5-dimethyl-4,6-dioxooctahydropyrrolo[3,4-C]pyrrole-1-carboxylate")
