| SpectraBase Spectrum ID |
Ct5b1WHW9Tm |
| Name |
2,3-bis(2-Bromanyl-4,5-dimethoxy-phenyl)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
482.968084092 u |
| Formula |
C19H19Br2NO4 |
| InChI |
InChI=1S/C19H19Br2NO4/c1-23-16-6-11(14(20)8-18(16)25-3)5-12(10-22)13-7-17(24-2)19(26-4)9-15(13)21/h6-9,12H,5H2,1-4H3 |
| InChIKey |
CKLUWRXQXXGVKI-UHFFFAOYSA-N |
| Molecular Weight |
485.172 g/mol |
| SMILES |
C(C(CC=1C(=CC(=C(C1)OC)OC)Br)C=1C(=CC(=C(C1)OC)OC)Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937185 |
