| SpectraBase Spectrum ID |
u2A7NsomWV |
| Name |
2-Chloro-5-hydroxy-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)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 |
313.014185438 u |
| Formula |
C16H8ClNO4 |
| InChI |
InChI=1S/C16H8ClNO4/c17-13-14(18-8-4-6-9(19)7-5-8)16(22)12-10(15(13)21)2-1-3-11(12)20/h1-7,20H |
| InChIKey |
ZXHQRGMURVYKJO-UHFFFAOYSA-N |
| Molecular Weight |
313.696 g/mol |
| SMILES |
C12=C(C(=CC=C2)O)C(C(=C(C1=O)Cl)N=C1C=CC(C=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937935 |
![2-Chloro-5-hydroxy-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]naphthalene-1,4-dione](/api/spectrum/u2A7NsomWV/structure.png?h=300&w=458 "2-Chloro-5-hydroxy-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]naphthalene-1,4-dione")
