| SpectraBase Compound ID | 4emfeR5JfEf |
|---|---|
| InChI | InChI=1S/C14H12F4O5/c1-21-9-4-2-3-5-10(9)23-12(20)7-6-11(19)22-8-14(17,18)13(15)16/h2-7,13H,8H2,1H3/b7-6+ |
| InChIKey | KUSMZDGVRCWESS-VOTSOKGWSA-N |
| Mol Weight | 336.24 g/mol |
| Molecular Formula | C14H12F4O5 |
| Exact Mass | 336.062086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9XpS7n2MTRY |
|---|---|
| Name | Fumaric acid, 2-methoxyphenyl 2,2,3,3-tetrafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.062086133 u |
| Formula | C14H12F4O5 |
| InChI | InChI=1S/C14H12F4O5/c1-21-9-4-2-3-5-10(9)23-12(20)7-6-11(19)22-8-14(17,18)13(15)16/h2-7,13H,8H2,1H3/b7-6+ |
| InChIKey | KUSMZDGVRCWESS-VOTSOKGWSA-N |
| Molecular Weight | 336.239 g/mol |
| SMILES | C(\C=C\C(OCC(C(F)F)(F)F)=O)(OC1=C(OC)C=CC=C1)=O |