| SpectraBase Spectrum ID |
7IPpa2fD3G5 |
| Name |
1,2-(1,1-Phenylnitrile)ethnae |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.100048394 u |
| Formula |
C16H12N2 |
| InChI |
InChI=1S/C16H12N2/c17-11-15(13-7-3-1-4-8-13)16(12-18)14-9-5-2-6-10-14/h1-10,15-16H |
| InChIKey |
KJPHABUGXMBVHI-UHFFFAOYSA-N |
| Molecular Weight |
232.286 g/mol |
| SMILES |
C(C#N)(C(C#N)C1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934145 |
