| SpectraBase Compound ID | 97B9GMJsiZM |
|---|---|
| InChI | InChI=1S/C15H14F4O4/c16-14(17)15(18,19)10-23-13(21)7-6-12(20)22-9-8-11-4-2-1-3-5-11/h1-7,14H,8-10H2/b7-6+ |
| InChIKey | LZKLBSSFNBWEQO-VOTSOKGWSA-N |
| Mol Weight | 334.27 g/mol |
| Molecular Formula | C15H14F4O4 |
| Exact Mass | 334.082822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 993ZcoQPmIG |
|---|---|
| Name | Fumaric acid, 2-phenethyl 2,2,3,3-tetrafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.082821579 u |
| Formula | C15H14F4O4 |
| InChI | InChI=1S/C15H14F4O4/c16-14(17)15(18,19)10-23-13(21)7-6-12(20)22-9-8-11-4-2-1-3-5-11/h1-7,14H,8-10H2/b7-6+ |
| InChIKey | LZKLBSSFNBWEQO-VOTSOKGWSA-N |
| Molecular Weight | 334.267 g/mol |
| SMILES | C(\C=C\C(OCC(C(F)F)(F)F)=O)(OCCC1=CC=CC=C1)=O |