| SpectraBase Spectrum ID |
334cynfwpTB |
| Name |
2-Amino-3-methyl-5,5-diphenylcyclopenta-1,3-diene-1-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.131348523 u |
| Formula |
C19H16N2 |
| InChI |
InChI=1S/C19H16N2/c1-14-12-19(17(13-20)18(14)21,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12H,21H2,1H3 |
| InChIKey |
WLJILZYCAPTKSG-UHFFFAOYSA-N |
| Molecular Weight |
272.351 g/mol |
| SMILES |
C=1(C(C=C(C1N)C)(C1=CC=CC=C1)C=1C=CC=CC1)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974445 |
