| SpectraBase Spectrum ID |
EhWKq1Wp6yS |
| Name |
Tris-1,3,5-(2,3-dichloroallyl)-hexahydro-S-triazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.939713695 u |
| Formula |
C12H15Cl6N3 |
| InChI |
InChI=1S/C12H15Cl6N3/c13-1-10(16)4-19-7-20(5-11(17)2-14)9-21(8-19)6-12(18)3-15/h1-3H,4-9H2/b10-1-,11-2-,12-3+ |
| InChIKey |
YRGUOHIPXPQWNB-MFXDNHPUSA-N |
| Molecular Weight |
413.991 g/mol |
| SMILES |
C1N(CN(CN1C\C(=C\Cl)Cl)C\C(=C/Cl)Cl)C\C(=C\Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855061 |
