| SpectraBase Spectrum ID |
IbQD7HpNOvH |
| Name |
(2S,3S)-3-Benzyl-2-(2-chlorophenyl)-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/c24-18-11-5-4-10-16(18)21-17(14-15-8-2-1-3-9-15)22(27)26-19-12-6-7-13-20(19)28-23(26)25-21/h1-13,17,21H,14H2/t17-,21+/m0/s1 |
| InChIKey |
OTIATMVNRKRATG-LAUBAEHRSA-N |
| Molecular Weight |
404.915 g/mol |
| SMILES |
C1=CC=C2SC=3N(C2=C1)C([C@@](CC1=CC=CC=C1)([C@@](C1=C(C=CC=C1)Cl)(N3)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950547 |
![(2S,3S)-3-benzyl-2-(2-chlorophenyl)-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one](/api/spectrum/IbQD7HpNOvH/structure.png?h=300&w=458 "(2S,3S)-3-benzyl-2-(2-chlorophenyl)-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one")
