| SpectraBase Spectrum ID |
8wnHcPePRh5 |
| Name |
4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzopyrano[4,3-C]pyrimidine-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.043711920 u |
| Formula |
C17H13ClN2OS |
| InChI |
InChI=1S/C17H13ClN2OS/c18-11-7-5-10(6-8-11)15-13-9-21-14-4-2-1-3-12(14)16(13)20-17(22)19-15/h1-8,15H,9H2,(H2,19,20,22) |
| InChIKey |
LMOXVRNXMUJEKQ-UHFFFAOYSA-N |
| Molecular Weight |
328.817 g/mol |
| SMILES |
C12=C(NC(NC2C2=CC=C(C=C2)Cl)=S)C=2C=CC=CC2OC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935068 |
![4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzopyrano[4,3-c]pyrimidine-2-thione](/api/spectrum/8wnHcPePRh5/structure.png?h=300&w=458 "4-(4-Chlorophenyl)-1,2,3,4-tetrahydro-(5H)-[1]benzopyrano[4,3-c]pyrimidine-2-thione")
