| SpectraBase Spectrum ID |
9h7rTem7kSn |
| Name |
(2S,3S)-3-Benzyl-8-chloro-2-phenyl-2H-benzo[4,5]thiazolo[3,2-A]pyrimidin-4(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
404.075012048 u |
| Formula |
C23H17ClN2OS |
| InChI |
InChI=1S/C23H17ClN2OS/c24-17-11-12-19-20(14-17)28-23-25-21(16-9-5-2-6-10-16)18(22(27)26(19)23)13-15-7-3-1-4-8-15/h1-12,14,18,21H,13H2/t18-,21+/m0/s1 |
| InChIKey |
QWVPWSAJEZRYAA-GHTZIAJQSA-N |
| Molecular Weight |
404.915 g/mol |
| SMILES |
C1=C(C=C2SC=3N(C2=C1)C([C@@](CC1=CC=CC=C1)([C@@](C1=CC=CC=C1)(N3)[H])[H])=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935466 |
![(2S,3S)-3-benzyl-8-chloro-2-phenyl-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one](/api/spectrum/9h7rTem7kSn/structure.png?h=300&w=458 "(2S,3S)-3-benzyl-8-chloro-2-phenyl-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one")
