| SpectraBase Spectrum ID |
ECzzK0xKGEt |
| Name |
8-(6-Bromo-4-chloro-o-tolyl)-2,3,5,6,7,8-hexahydro-7-methylimidazo[1,2-A]pyrimidine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.029438259 u |
| Formula |
C14H17BrClN3 |
| InChI |
InChI=1S/C14H17BrClN3/c1-9-7-11(16)8-12(15)13(9)19-10(2)3-5-18-6-4-17-14(18)19/h7-8,10H,3-6H2,1-2H3 |
| InChIKey |
VAXAVIJBALYBEB-UHFFFAOYSA-N |
| Molecular Weight |
342.668 g/mol |
| SMILES |
C1=C(C(=C(C=C1Cl)C)N1C2=NCCN2CCC1C)Br |
| Spectrum/Structure Validation Score (Raman) |
0.987875 |
![8-(6-Bromo-4-chloro-o-tolyl)-2,3,5,6,7,8-hexahydro-7-methylimidazo[1,2-A]pyrimidine](/api/spectrum/ECzzK0xKGEt/structure.png?h=300&w=458 "8-(6-Bromo-4-chloro-o-tolyl)-2,3,5,6,7,8-hexahydro-7-methylimidazo[1,2-A]pyrimidine")
