| SpectraBase Spectrum ID |
H4Bp5I2etsq |
| Name |
Methyl 1-hydroxy-2-methyl-2,3-dihydro-3-oxo-1H-isoindole-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.068807834 u |
| Formula |
C11H11NO4 |
| InChI |
InChI=1S/C11H11NO4/c1-12-9(13)7-5-3-4-6-8(7)11(12,15)10(14)16-2/h3-6,15H,1-2H3 |
| InChIKey |
OUUKXRXSIPGJNP-UHFFFAOYSA-N |
| Molecular Weight |
221.212 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)C)(C(=O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927033 |
