| SpectraBase Spectrum ID |
FdXHu7dSfxZ |
| Name |
(S)-Methyl-1-((3as,4R,7as)-1,3-dioxo-1,3,3A,4,7,7A-hexahydroisobenzofuran-4-yl)-5-oxopyrrolidine-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.089937201 u |
| Formula |
C14H15NO6 |
| InChI |
InChI=1S/C14H15NO6/c1-20-13(18)9-5-6-10(16)15(9)8-4-2-3-7-11(8)14(19)21-12(7)17/h2,4,7-9,11H,3,5-6H2,1H3/t7-,8+,9-,11-/m0/s1 |
| InChIKey |
HEIZQFYSQIMULF-DKIAZLNASA-N |
| Molecular Weight |
293.275 g/mol |
| SMILES |
C1=CC[C@]2([C@@]([C@@]1(N1C(CC[C@]1(C(OC)=O)[H])=O)[H])(C(OC2=O)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945702 |
