| SpectraBase Spectrum ID |
zhQYxdBh10 |
| Name |
Succinic acid, ethyl 2,3,4-trifluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.060943319 u |
| Formula |
C12H11F3O4 |
| InChI |
InChI=1S/C12H11F3O4/c1-2-18-9(16)5-6-10(17)19-8-4-3-7(13)11(14)12(8)15/h3-4H,2,5-6H2,1H3 |
| InChIKey |
QBPJDFUOJQHHCU-UHFFFAOYSA-N |
| Molecular Weight |
276.211 g/mol |
| SMILES |
C(CC(OCC)=O)C(OC1=C(C(=C(C=C1)F)F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820371 |
