| SpectraBase Spectrum ID |
4VMSLuL9KUb |
| Name |
Ethyl 4-cyclopropyl(hydroxy)methylene-3- trifluoroacetyloxy-5-oxocyclohex-2-enecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.082072686 u |
| Formula |
C15H15F3O6 |
| InChI |
InChI=1S/C15H15F3O6/c1-2-23-13(21)8-5-9(19)11(12(20)7-3-4-7)10(6-8)24-14(22)15(16,17)18/h6-8,20H,2-5H2,1H3/b12-11+ |
| InChIKey |
DEFGRHRNZINOOF-VAWYXSNFSA-N |
| Molecular Weight |
348.274 g/mol |
| SMILES |
C1(CC(\C(C(=C1)OC(C(F)(F)F)=O)=C\(C1CC1)O)=O)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838711 |
