| SpectraBase Spectrum ID |
EIZShuC71Rb |
| Name |
1-Amino 4-m-hydroxymethyl phenylamino anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.116092380 u |
| Formula |
C21H16N2O3 |
| InChI |
InChI=1S/C21H16N2O3/c22-16-8-9-17(23-13-5-3-4-12(10-13)11-24)19-18(16)20(25)14-6-1-2-7-15(14)21(19)26/h1-10,23-24H,11,22H2 |
| InChIKey |
YFIKTCSWIPBLPB-UHFFFAOYSA-N |
| Molecular Weight |
344.370 g/mol |
| SMILES |
C=1(C=CC(=C2C(=O)C=3C=CC=CC3C(=O)C12)NC=1C=C(C=CC1)CO)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919816 |
