| SpectraBase Spectrum ID |
FwMzkynt9Me |
| Name |
(E)-2-Fluoro-3-(4-N,N-dimethylaminephenyl)-propenoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.116506920 u |
| Formula |
C13H16FNO2 |
| InChI |
InChI=1S/C13H16FNO2/c1-4-17-13(16)12(14)9-10-5-7-11(8-6-10)15(2)3/h5-9H,4H2,1-3H3/b12-9+ |
| InChIKey |
YAMIZQMMCFSNKH-FMIVXFBMSA-N |
| Molecular Weight |
237.274 g/mol |
| SMILES |
C1=C(C=CC(=C1)N(C)C)\C=C/(C(=O)OCC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898411 |
