| SpectraBase Spectrum ID |
2s456WMw7lu |
| Name |
Ethyl 4-(4-nitrophthalimidomethylamino)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.096085209 u |
| Formula |
C18H15N3O6 |
| InChI |
InChI=1S/C18H15N3O6/c1-2-27-18(24)11-3-5-12(6-4-11)19-10-20-16(22)14-8-7-13(21(25)26)9-15(14)17(20)23/h3-9,19H,2,10H2,1H3 |
| InChIKey |
ONXFUVWVTDMVFR-UHFFFAOYSA-N |
| Molecular Weight |
369.333 g/mol |
| SMILES |
CCOC(C1=CC=C(NCN2C(C3=CC(N(=O)=O)=CC=C3C2=O)=O)C=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956282 |
