| SpectraBase Spectrum ID |
IWo8u6MJ6no |
| Name |
(2E,4E)-3-Fluorohexa-2,4-dienedioic acid diethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.079787058 u |
| Formula |
C10H13FO4 |
| InChI |
InChI=1S/C10H13FO4/c1-3-14-9(12)6-5-8(11)7-10(13)15-4-2/h5-7H,3-4H2,1-2H3/b6-5+,8-7+ |
| InChIKey |
BFMWYIJVENGNQR-BSWSSELBSA-N |
| Molecular Weight |
216.208 g/mol |
| SMILES |
C(\C=C/(\C=C\C(=O)OCC)F)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921878 |
