| SpectraBase Spectrum ID |
1sjy6RkwvkF |
| Name |
2-Propenoic acid, 2-cyano-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 |
272.152477890 u |
| Formula |
C16H20N2O2 |
| InChI |
InChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)13(11-17)10-12-6-8-14(9-7-12)18(4)5/h6-10H,1-5H3/b13-10+ |
| InChIKey |
ATYKGOWJOOUMDX-JLHYYAGUSA-N |
| Molecular Weight |
272.348 g/mol |
| SMILES |
C1=CC(=CC=C1\C=C\(C(=O)OC(C)(C)C)C#N)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957976 |
![2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-, 1,1-dimethylethyl ester](/api/spectrum/1sjy6RkwvkF/structure.png?h=300&w=458 "2-Propenoic acid, 2-cyano-3-[4-(dimethylamino)phenyl]-, 1,1-dimethylethyl ester")
