| SpectraBase Compound ID | CDuiKbGewy1 |
|---|---|
| InChI | InChI=1S/C14H11F7O4/c1-2-7-24-10(22)8-3-5-9(6-4-8)25-11(23)12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3 |
| InChIKey | CBQCLXBQPIUGLJ-UHFFFAOYSA-N |
| Mol Weight | 376.23 g/mol |
| Molecular Formula | C14H11F7O4 |
| Exact Mass | 376.054556 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ICTVWTwi0ok |
|---|---|
| Name | Propylparaben, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.054555971 u |
| Formula | C14H11F7O4 |
| InChI | InChI=1S/C14H11F7O4/c1-2-7-24-10(22)8-3-5-9(6-4-8)25-11(23)12(15,16)13(17,18)14(19,20)21/h3-6H,2,7H2,1H3 |
| InChIKey | CBQCLXBQPIUGLJ-UHFFFAOYSA-N |
| Molecular Weight | 376.227 g/mol |
| SMILES | C(OCCC)(=O)C1=CC=C(C=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |