| SpectraBase Spectrum ID |
F6tbttFu4TJ |
| Name |
Fumaric acid, 2-ethylbutyl 2-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.126737251 u |
| Formula |
C16H19FO4 |
| InChI |
InChI=1S/C16H19FO4/c1-3-12(4-2)11-20-15(18)9-10-16(19)21-14-8-6-5-7-13(14)17/h5-10,12H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey |
GHVSTNBJCIXJMB-MDZDMXLPSA-N |
| Molecular Weight |
294.322 g/mol |
| SMILES |
C(\C=C\C(OC1=CC=CC=C1F)=O)(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869056 |
