| SpectraBase Spectrum ID |
8yc7ibGLsYS |
| Name |
5-Allyl-5-(2',2'-dibromoethenyl)-2,5-dihydro-2-isopropyl-3,6-dimethoxypyrazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.989153890 u |
| Formula |
C14H20Br2N2O2 |
| InChI |
InChI=1S/C14H20Br2N2O2/c1-6-7-14(8-10(15)16)13(20-5)17-11(9(2)3)12(18-14)19-4/h6,8-9,11H,1,7H2,2-5H3 |
| InChIKey |
WOHZXAMGKYRGTA-UHFFFAOYSA-N |
| Molecular Weight |
408.134 g/mol |
| SMILES |
C1(=NC(C(=NC1(C=C(Br)Br)CC=C)OC)C(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841655 |
