| SpectraBase Spectrum ID |
EYZwWI0rUKI |
| Name |
5-Hydroxy-3-amino-2-aceto-1,4-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.053157770 u |
| Formula |
C12H9NO4 |
| InChI |
InChI=1S/C12H9NO4/c1-5(14)8-10(13)12(17)9-6(11(8)16)3-2-4-7(9)15/h2-4,15H,13H2,1H3 |
| InChIKey |
GADBCXPEZFEVON-UHFFFAOYSA-N |
| Molecular Weight |
231.207 g/mol |
| SMILES |
C1(=O)C(C(=O)C)=C(N)C(=O)C2=C(O)C=CC=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985186 |
