| SpectraBase Spectrum ID |
2u0COWN4Wb9 |
| Name |
2-Hydroxyisophthalic acid, dimethyl ester, N-phenylbenzimidate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
389.126322711 u |
| Formula |
C23H19NO5 |
| InChI |
InChI=1S/C23H19NO5/c1-27-22(25)18-14-9-15-19(23(26)28-2)20(18)29-21(16-10-5-3-6-11-16)24-17-12-7-4-8-13-17/h3-15H,1-2H3/b24-21+ |
| InChIKey |
VNIVEKDAONZIQT-DARPEHSRSA-N |
| Molecular Weight |
389.407 g/mol |
| SMILES |
C1=C(C(=C(C=C1)C(=O)OC)O\C(=N\C=1C=CC=CC1)C=1C=CC=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Raman) |
0.976502 |
