SpectraBase Spectrum ID |
9EzjHTSmAP4 |
Name |
N-(3-Chlorophenyl)-1-(2-hydroxyethylsulfanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
437.048856869 u |
Formula |
C23H16ClNO4S |
InChI |
InChI=1S/C23H16ClNO4S/c24-13-4-3-5-14(12-13)25-23(29)18-9-8-17-19(22(18)30-11-10-26)21(28)16-7-2-1-6-15(16)20(17)27/h1-9,12,26H,10-11H2,(H,25,29) |
InChIKey |
FWQOERBDOUAYKQ-UHFFFAOYSA-N |
Molecular Weight |
437.897 g/mol |
SMILES |
C1=2C(C=3C=CC=CC3C(C2C=CC(=C1SCCO)C(NC=1C=C(Cl)C=CC1)=O)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907796 |