| SpectraBase Spectrum ID |
6sCmFc9hEEW |
| Name |
Penta-2,4-dienecarboxylic acid, 2-benzoyl-4-fluoro-5-dimethylamino-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
291.127071604 u |
| Formula |
C16H18FNO3 |
| InChI |
InChI=1S/C16H18FNO3/c1-4-21-16(20)14(10-13(17)11-18(2)3)15(19)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/b13-11-,14-10- |
| InChIKey |
FHUJHBQVUVPCNM-QFCYPFEVSA-N |
| Molecular Weight |
291.322 g/mol |
| SMILES |
C(\C(=C\C(=C\N(C)C)F)C(=O)OCC)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957764 |
