| SpectraBase Spectrum ID |
1UgzDOh54jZ |
| Name |
2,3-Dimethoxy-2,3-diphenyl-butanedinitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.121177761 u |
| Formula |
C18H16N2O2 |
| InChI |
InChI=1S/C18H16N2O2/c1-21-17(13-19,15-9-5-3-6-10-15)18(14-20,22-2)16-11-7-4-8-12-16/h3-12H,1-2H3 |
| InChIKey |
IESMRPVAAQUHSX-UHFFFAOYSA-N |
| SMILES |
C(C(C#N)(C1=CC=CC=C1)OC)(C#N)(C=1C=CC=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825547 |
