| SpectraBase Spectrum ID |
58sKxMQRxC3 |
| Name |
1,3-Dicyclohexyl-5-bromo-5-bromomethyl-hexahydropyrimidine-2,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.036104083 u |
| Formula |
C17H26Br2N2O2 |
| InChI |
InChI=1S/C17H26Br2N2O2/c18-11-17(19)12-20(13-7-3-1-4-8-13)16(23)21(15(17)22)14-9-5-2-6-10-14/h13-14H,1-12H2 |
| InChIKey |
WBOWEOPORKONCT-UHFFFAOYSA-N |
| Molecular Weight |
450.215 g/mol |
| SMILES |
C1(N(C(=O)C(CN1C1CCCCC1)(Br)CBr)C1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822166 |
