| SpectraBase Spectrum ID |
F2DX62wyAUV |
| Name |
2-[(o-Chlorobenzyl)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 |
276.025475033 u |
| Formula |
C11H14Cl2N2S |
| InChI |
InChI=1S/C11H13ClN2S.ClH/c12-10-5-2-1-4-9(10)8-15-11-13-6-3-7-14-11;/h1-2,4-5H,3,6-8H2,(H,13,14);1H |
| InChIKey |
IGBYVLPLKYJBGQ-UHFFFAOYSA-N |
| Molecular Weight |
277.213 g/mol |
| SMILES |
Cl.N1C(=NCCC1)SCC=1C=CC=CC1Cl |
| Spectrum/Structure Validation Score (Raman) |
0.899081 |
![2-[(o-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine, monohydrochloride](/api/spectrum/F2DX62wyAUV/structure.png?h=300&w=458 "2-[(o-Chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidine, monohydrochloride")
