SpectraBase Spectrum ID |
Ah9pgeL1v50 |
Name |
Phenothiazine, 10-phenylthioacetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
349.059506454 u |
Formula |
C20H15NOS2 |
InChI |
InChI=1S/C20H15NOS2/c22-20(14-23-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2 |
InChIKey |
DEDXZLAUUPHUHS-UHFFFAOYSA-N |
Molecular Weight |
349.466 g/mol |
SMILES |
C1=CC=C(C=C1)SCC(N1C2=C(C=CC=C2)SC2=C1C=CC=C2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882134 |