| SpectraBase Spectrum ID |
13yTEmJcBXD |
| Name |
4,6-bis(2-Bromobenzyl)isophthalonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
463.952374459 u |
| Formula |
C22H14Br2N2 |
| InChI |
InChI=1S/C22H14Br2N2/c23-21-7-3-1-5-15(21)9-17-11-18(20(14-26)12-19(17)13-25)10-16-6-2-4-8-22(16)24/h1-8,11-12H,9-10H2 |
| InChIKey |
VZZUYDRYGUUWLA-UHFFFAOYSA-N |
| Molecular Weight |
466.176 g/mol |
| SMILES |
C(C=1C=C(C#N)C(=CC1CC=1C(=CC=CC1)Br)CC=1C=CC=CC1Br)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961876 |
