| SpectraBase Spectrum ID |
EkoPb2ofFCx |
| Name |
2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-methylene-1,3-dioxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.053157770 u |
| Formula |
C12H9NO4 |
| InChI |
InChI=1S/C12H9NO4/c1-7(12(16)17-2)13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6H,1H2,2H3 |
| InChIKey |
OSVYRWKJPFHXTJ-UHFFFAOYSA-N |
| Molecular Weight |
231.207 g/mol |
| SMILES |
C1(=O)N(C(=C)C(OC)=O)C(C=2C1=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947104 |
