| SpectraBase Spectrum ID |
Bbsdf0LJl7F |
| Name |
2,2,4-Trimethyl-6-oxidanylidene-1,3-dihydropyridine-5-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.094963013 u |
| Formula |
C9H12N2O |
| InChI |
InChI=1S/C9H12N2O/c1-6-4-9(2,3)11-8(12)7(6)5-10/h4H2,1-3H3,(H,11,12) |
| InChIKey |
SCQOFMGAFNWKPH-UHFFFAOYSA-N |
| Molecular Weight |
164.208 g/mol |
| SMILES |
C=1(C(NC(CC1C)(C)C)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934507 |
