| SpectraBase Spectrum ID |
LEKQoxVmmBp |
| Name |
N-(m-Nitrobenzoyl)-5-thiocyanatoanthranilic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.057591700 u |
| Formula |
C17H13N3O5S |
| InChI |
InChI=1S/C17H13N3O5S/c1-2-25-17(22)14-9-13(26-10-18)6-7-15(14)19-16(21)11-4-3-5-12(8-11)20(23)24/h3-9H,2H2,1H3,(H,19,21) |
| InChIKey |
HMXJLJYQHDSLTG-UHFFFAOYSA-N |
| Molecular Weight |
371.367 g/mol |
| SMILES |
N(C(C1=CC(=CC=C1)N(=O)=O)=O)C=1C=CC(=CC1C(OCC)=O)SC#N |
| Spectrum/Structure Validation Score (Raman) |
0.858264 |
