| SpectraBase Spectrum ID |
4HgAejmGLVg |
| Name |
5-Amino-3-(benzylamino)-8-hydroxy-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.100442316 u |
| Formula |
C17H14N2O3 |
| InChI |
InChI=1S/C17H14N2O3/c18-11-6-7-13(20)16-14(21)8-12(17(22)15(11)16)19-9-10-4-2-1-3-5-10/h1-8,19-20H,9,18H2 |
| InChIKey |
IPKDZBWELKHKBJ-UHFFFAOYSA-N |
| SMILES |
C12=C(C(=O)C=C(C2=O)NCC2=CC=CC=C2)C(O)=CC=C1N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948869 |
