| SpectraBase Spectrum ID |
CwgSN6G51jj |
| Name |
2-Chloro-5-hydroxy-3-[(4-hydroxy-3-methylphenyl)amino]naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.045485566 u |
| Formula |
C17H12ClNO4 |
| InChI |
InChI=1S/C17H12ClNO4/c1-8-7-9(5-6-11(8)20)19-15-14(18)16(22)10-3-2-4-12(21)13(10)17(15)23/h2-7,19-21H,1H3 |
| InChIKey |
DOHOTGWPRNHZHY-UHFFFAOYSA-N |
| Molecular Weight |
329.739 g/mol |
| SMILES |
C12=C(C(=CC=C2)O)C(C(=C(C1=O)Cl)NC1=CC=C(C(=C1)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922502 |
![2-Chloro-5-hydroxy-3-[(4-hydroxy-3-methylphenyl)amino]naphthalene-1,4-dione](/api/spectrum/CwgSN6G51jj/structure.png?h=300&w=458 "2-Chloro-5-hydroxy-3-[(4-hydroxy-3-methylphenyl)amino]naphthalene-1,4-dione")
