| SpectraBase Spectrum ID |
KSOW2fvYiqf |
| Name |
2H-Isoindole-2-butanoic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.100107963 u |
| Formula |
C14H15NO4 |
| InChI |
InChI=1S/C14H15NO4/c1-2-19-12(16)8-5-9-15-13(17)10-6-3-4-7-11(10)14(15)18/h3-4,6-7H,2,5,8-9H2,1H3 |
| InChIKey |
WHBRGTLWKQJVEI-UHFFFAOYSA-N |
| Molecular Weight |
261.277 g/mol |
| SMILES |
C1(=O)C2=C(C=CC=C2)C(N1CCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950916 |
