| SpectraBase Spectrum ID |
3admKMxHWM6 |
| Name |
(2S,3S)-3-Benzyl-8-methyl-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 |
384.129634445 u |
| Formula |
C24H20N2OS |
| InChI |
InChI=1S/C24H20N2OS/c1-16-12-13-20-21(14-16)28-24-25-22(18-10-6-3-7-11-18)19(23(27)26(20)24)15-17-8-4-2-5-9-17/h2-14,19,22H,15H2,1H3/t19-,22+/m0/s1 |
| InChIKey |
MWJMFSQPAPZPOA-SIKLNZKXSA-N |
| Molecular Weight |
384.497 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)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930949 |
![(2S,3S)-3-benzyl-8-methyl-2-phenyl-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one](/api/spectrum/3admKMxHWM6/structure.png?h=300&w=458 "(2S,3S)-3-benzyl-8-methyl-2-phenyl-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4(3H)-one")
