| SpectraBase Spectrum ID |
5t0RZtk992z |
| Name |
2-Propenoic acid, 2,3-dicyano-3-[4-(dimethylamino)phenyl]-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.100776669 u |
| Formula |
C14H13N3O2 |
| InChI |
InChI=1S/C14H13N3O2/c1-17(2)11-6-4-10(5-7-11)12(8-15)13(9-16)14(18)19-3/h4-7H,1-3H3/b13-12+ |
| InChIKey |
ASHJJXLDOCBHEF-OUKQBFOZSA-N |
| Molecular Weight |
255.277 g/mol |
| SMILES |
C1=CC(=CC=C1\C(=C\(C(OC)=O)C#N)C#N)N(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86773 |
![2-Propenoic acid, 2,3-dicyano-3-[4-(dimethylamino)phenyl]-, methyl ester](/api/spectrum/5t0RZtk992z/structure.png?h=300&w=458 "2-Propenoic acid, 2,3-dicyano-3-[4-(dimethylamino)phenyl]-, methyl ester")
