| SpectraBase Spectrum ID |
FO5yBkxB533 |
| Name |
2-Propenoic acid, 2,3-dicyano-3-[4-(dimethylamino)phenyl]-, 1,1-dimethylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.147726862 u |
| Formula |
C17H19N3O2 |
| InChI |
InChI=1S/C17H19N3O2/c1-17(2,3)22-16(21)15(11-19)14(10-18)12-6-8-13(9-7-12)20(4)5/h6-9H,1-5H3/b15-14+ |
| InChIKey |
ZWYWAVCFLCOVAU-CCEZHUSRSA-N |
| SMILES |
C1=CC(=CC=C1\C(=C\(C(=O)OC(C)(C)C)C#N)C#N)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906899 |
![2-Propenoic acid, 2,3-dicyano-3-[4-(dimethylamino)phenyl]-, 1,1-dimethylethyl ester](/api/spectrum/FO5yBkxB533/structure.png?h=300&w=458 "2-Propenoic acid, 2,3-dicyano-3-[4-(dimethylamino)phenyl]-, 1,1-dimethylethyl ester")
