| SpectraBase Spectrum ID |
7UxT7LTHkxA |
| Name |
1-Amino-2-(hydroxymethyl)anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.073893215 u |
| Formula |
C15H11NO3 |
| InChI |
InChI=1S/C15H11NO3/c16-13-8(7-17)5-6-11-12(13)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,17H,7,16H2 |
| InChIKey |
KDMWWIREEDECOR-UHFFFAOYSA-N |
| Molecular Weight |
253.257 g/mol |
| SMILES |
C12=C(C(C=3C(C2=O)=CC=C(C3N)CO)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920711 |
