| SpectraBase Spectrum ID |
B8esBpyr0lb |
| Name |
1-(4-Chlorophenyl)-5-[(2-chlorophenyl)methyl]-1,3,5-triazinane-2-thione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.036374069 u |
| Formula |
C16H15Cl2N3S |
| InChI |
InChI=1S/C16H15Cl2N3S/c17-13-5-7-14(8-6-13)21-11-20(10-19-16(21)22)9-12-3-1-2-4-15(12)18/h1-8H,9-11H2,(H,19,22) |
| InChIKey |
IUFUOWSMMLJXTB-UHFFFAOYSA-N |
| Molecular Weight |
352.283 g/mol |
| SMILES |
C1(NCN(CN1C1=CC=C(C=C1)Cl)CC1=C(C=CC=C1)Cl)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855763 |
![1-(4-Chlorophenyl)-5-[(2-chlorophenyl)methyl]-1,3,5-triazinane-2-thione](/api/spectrum/B8esBpyr0lb/structure.png?h=300&w=458 "1-(4-Chlorophenyl)-5-[(2-chlorophenyl)methyl]-1,3,5-triazinane-2-thione")
