| SpectraBase Spectrum ID |
5Ve43OUXoTL |
| Name |
2-(Benzylamino)-5-hydroxynaphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.089543280 u |
| Formula |
C17H13NO3 |
| InChI |
InChI=1S/C17H13NO3/c19-14-8-4-7-12-16(14)15(20)9-13(17(12)21)18-10-11-5-2-1-3-6-11/h1-9,18-19H,10H2 |
| InChIKey |
ZGXJYIJRVRDNDD-UHFFFAOYSA-N |
| Molecular Weight |
279.295 g/mol |
| SMILES |
C1=C(C(C=2C(C1=O)=C(C=CC2)O)=O)NCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956651 |
