| SpectraBase Spectrum ID |
LTIOg62dcRG |
| Name |
2-(p-Methylbenzylidene)-2,5,6,7,8,9,10,11-octahydro-5-phenyl-3H-cycloocta[D]thiazolo[3,2-A]pyrimidin-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.176584638 u |
| Formula |
C26H26N2OS |
| InChI |
InChI=1S/C26H26N2OS/c1-18-13-15-19(16-14-18)17-23-25(29)28-24(20-9-5-4-6-10-20)21-11-7-2-3-8-12-22(21)27-26(28)30-23/h4-6,9-10,13-17,24H,2-3,7-8,11-12H2,1H3 |
| InChIKey |
FQKXVCPEVQHJCB-UHFFFAOYSA-N |
| Molecular Weight |
414.567 g/mol |
| SMILES |
C1C=2C(N3C(C(SC3=NC2CCCCC1)=CC=1C=CC(=CC1)C)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) |
0.914081 |
![2-(p-methylbenzylidene)-2,5,6,7,8,9,10,11-octahydro-5-phenyl-3H-cycloocta[d]thiazolo[3,2-a]pyrimidin-3-one](/api/spectrum/LTIOg62dcRG/structure.png?h=300&w=458 "2-(p-methylbenzylidene)-2,5,6,7,8,9,10,11-octahydro-5-phenyl-3H-cycloocta[d]thiazolo[3,2-a]pyrimidin-3-one")
