| SpectraBase Spectrum ID |
ISDAzvSBGsh |
| Name |
N-(3-Chlorophenyl)-1-(ethylthio)-9,10-diketo-anthracene-2-carboxamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.053942250 u |
| Formula |
C23H16ClNO3S |
| InChI |
InChI=1S/C23H16ClNO3S/c1-2-29-22-18(23(28)25-14-7-5-6-13(24)12-14)11-10-17-19(22)21(27)16-9-4-3-8-15(16)20(17)26/h3-12H,2H2,1H3,(H,25,28) |
| InChIKey |
OCMFZCXZUZBXGV-UHFFFAOYSA-N |
| Molecular Weight |
421.898 g/mol |
| SMILES |
C1=2C(C=3C=CC=CC3C(C2C=CC(=C1SCC)C(NC1=CC(Cl)=CC=C1)=O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854871 |
