| SpectraBase Spectrum ID |
1P2sZvOVb5i |
| Name |
2-(4-Chlorostyryl)-2,3-dihydro-2-phenyl-3-phenylacetyl-benzothiazole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.111063205 u |
| Formula |
C29H22ClNOS |
| InChI |
InChI=1S/C29H22ClNOS/c30-25-17-15-22(16-18-25)19-20-29(24-11-5-2-6-12-24)31(26-13-7-8-14-27(26)33-29)28(32)21-23-9-3-1-4-10-23/h1-20H,21H2/b20-19+ |
| InChIKey |
BWNVELWDUPHXIY-FMQUCBEESA-N |
| Molecular Weight |
468.014 g/mol |
| SMILES |
C1(SC=2C(N1C(=O)CC=1C=CC=CC1)=CC=CC2)(C=1C=CC=CC1)\C=C\C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915735 |
