| SpectraBase Spectrum ID |
8u4iHkePgun |
| Name |
2-[(2,4-Dichlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine, monohydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.986502701 u |
| Formula |
C11H13Cl3N2S |
| InChI |
InChI=1S/C11H12Cl2N2S.ClH/c12-9-3-2-8(10(13)6-9)7-16-11-14-4-1-5-15-11;/h2-3,6H,1,4-5,7H2,(H,14,15);1H |
| InChIKey |
UWYWSAXWVXLMFB-UHFFFAOYSA-N |
| Molecular Weight |
311.658 g/mol |
| SMILES |
Cl.N1C(=NCCC1)SCC1=CC=C(C=C1Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.857665 |
![2-[(2,4-Dichlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine, monohydrochloride](/api/spectrum/8u4iHkePgun/structure.png?h=300&w=458 "2-[(2,4-Dichlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine, monohydrochloride")
