SpectraBase Spectrum ID |
DtagrI9RAV9 |
Name |
10-Acetylamino-9-hydroxy-1,4-anthraquinone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
281.068807834 u |
Formula |
C16H11NO4 |
InChI |
InChI=1S/C16H11NO4/c1-8(18)17-15-9-4-2-3-5-10(9)16(21)14-12(20)7-6-11(19)13(14)15/h2-7,21H,1H3,(H,17,18) |
InChIKey |
ZOKKOECXDZKSOP-UHFFFAOYSA-N |
SMILES |
C12=C(C(O)=C3C(=C2NC(=O)C)C=CC=C3)C(=O)C=CC1=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922092 |