SpectraBase Spectrum ID |
3jiDBsTo2Xx |
Name |
N-(4-Fluorophenyl)-2-methyl-N-(2-methylacryloyl)prop-2-enamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.100856856 u |
Formula |
C14H14FNO2 |
InChI |
InChI=1S/C14H14FNO2/c1-9(2)13(17)16(14(18)10(3)4)12-7-5-11(15)6-8-12/h5-8H,1,3H2,2,4H3 |
InChIKey |
BXLWODWCGYOLJG-UHFFFAOYSA-N |
Molecular Weight |
247.269 g/mol |
SMILES |
C1(N(C(C(=C)C)=O)C(C(=C)C)=O)=CC=C(C=C1)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957935 |