| SpectraBase Spectrum ID |
lMbd7n4KZ9 |
| Name |
1-Acetyl-2,3-dihydro-2-hydroxy-indol-dicarboxylic-acid,methylester;isomer-#1 |
| 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/c1-8(16)15-10-7-5-4-6-9(10)11(12(17)20-2)14(15,19)13(18)21-3/h4-7,11,19H,1-3H3 |
| InChIKey |
FWNJRZXNEJMLQF-UHFFFAOYSA-N |
| Molecular Weight |
293.275 g/mol |
| SMILES |
C1=2N(C(C(C1=CC=CC2)C(=O)OC)(O)C(=O)OC)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800751 |
