| SpectraBase Spectrum ID |
6q07yVGPwea |
| Name |
2H-Isoindole-2-butanoic acid, 1,3-dihydro-5-(methoxycarbonyl)-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 |
305.089937201 u |
| Formula |
C15H15NO6 |
| InChI |
InChI=1S/C15H15NO6/c1-21-12(17)4-3-7-16-13(18)10-6-5-9(15(20)22-2)8-11(10)14(16)19/h5-6,8H,3-4,7H2,1-2H3 |
| InChIKey |
HECRLOKEHZKLGG-UHFFFAOYSA-N |
| Molecular Weight |
305.286 g/mol |
| SMILES |
COC(=O)CCCN1C(=O)C2=CC=C(C=C2C1=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835742 |
