| SpectraBase Compound ID | DhhNOcATDAv |
|---|---|
| InChI | InChI=1S/C13H9F7O5/c1-23-8-5-6(9(21)24-2)3-4-7(8)25-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3 |
| InChIKey | BFKGNXNPRZETKD-UHFFFAOYSA-N |
| Mol Weight | 378.2 g/mol |
| Molecular Formula | C13H9F7O5 |
| Exact Mass | 378.033821 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV4IaxgTSbv |
|---|---|
| Name | Methyl vanillate, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.033820526 u |
| Formula | C13H9F7O5 |
| InChI | InChI=1S/C13H9F7O5/c1-23-8-5-6(9(21)24-2)3-4-7(8)25-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3 |
| InChIKey | BFKGNXNPRZETKD-UHFFFAOYSA-N |
| Molecular Weight | 378.199 g/mol |
| SMILES | C(C1=CC(OC)=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)(=O)OC |