| SpectraBase Spectrum ID |
LgAJXi9g1ca |
| Name |
5-(4-Fluorophenyl)-9-(4-fluorophenyl)methylene-7-ethyl-5H-2,3,6,7,8,9-hexahydropyrido[4,3-D]thiazolo[3,2-A]pyrimidine-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.137339807 u |
| Formula |
C24H21F2N3OS |
| InChI |
InChI=1S/C24H21F2N3OS/c1-2-28-12-17(11-15-3-7-18(25)8-4-15)22-20(13-28)23(16-5-9-19(26)10-6-16)29-21(30)14-31-24(29)27-22/h3-11,23H,2,12-14H2,1H3/b17-11- |
| InChIKey |
VYUDBNSOAZUZFE-BOPFTXTBSA-N |
| Molecular Weight |
437.509 g/mol |
| SMILES |
C=12N(C(C=3C=CC(=CC3)F)C3=C(N1)\C(=C/C=1C=CC(=CC1)F)CN(CC)C3)C(=O)CS2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828119 |
![5-(4-Fluorophenyl)-9-(4-fluorophenyl)methylene-7-ethyl-5H-2,3,6,7,8,9-hexahydropyrido[4,3-d]thiazolo[3,2-a]pyrimidine-3-one](/api/spectrum/LgAJXi9g1ca/structure.png?h=300&w=458 "5-(4-Fluorophenyl)-9-(4-fluorophenyl)methylene-7-ethyl-5H-2,3,6,7,8,9-hexahydropyrido[4,3-d]thiazolo[3,2-a]pyrimidine-3-one")
