| SpectraBase Spectrum ID |
LcCyxdSgOSa |
| Name |
2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-.alpha.-(phenylmethylene)-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.100107963 u |
| Formula |
C19H15NO4 |
| InChI |
InChI=1S/C19H15NO4/c1-2-24-19(23)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)18(20)22/h3-12H,2H2,1H3/b16-12+ |
| InChIKey |
CBAKRVGXOAXPIT-FOWTUZBSSA-N |
| Molecular Weight |
321.332 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)\C(C(=O)OCC)=C/C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962302 |
