SpectraBase Spectrum ID |
Ef36EcPiIFa |
Name |
6-[(p-Chlorobenzyl)thio]-3-methyl-1,2,3,4-tetrahydro-S-triazine, monohydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
291.036374069 u |
Formula |
C11H15Cl2N3S |
InChI |
InChI=1S/C11H14ClN3S.ClH/c1-15-7-13-11(14-8-15)16-6-9-2-4-10(12)5-3-9;/h2-5H,6-8H2,1H3,(H,13,14);1H |
InChIKey |
SWFVADHPNTTXER-UHFFFAOYSA-N |
SMILES |
Cl.N1C(=NCN(C1)C)SCC1=CC=C(C=C1)Cl |
Spectrum/Structure Validation Score (Raman) |
0.895675 |