| SpectraBase Compound ID | EHJZFj21wSW |
|---|---|
| InChI | InChI=1S/C14H7F5O2/c1-6-2-4-7(5-3-6)14(20)21-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3 |
| InChIKey | VIUKYPVYPARUMI-UHFFFAOYSA-N |
| Mol Weight | 302.2 g/mol |
| Molecular Formula | C14H7F5O2 |
| Exact Mass | 302.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4MSfX8XXSRX |
|---|---|
| Name | 4-Methylbenzoic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.036620278 u |
| Formula | C14H7F5O2 |
| InChI | InChI=1S/C14H7F5O2/c1-6-2-4-7(5-3-6)14(20)21-13-11(18)9(16)8(15)10(17)12(13)19/h2-5H,1H3 |
| InChIKey | VIUKYPVYPARUMI-UHFFFAOYSA-N |
| Molecular Weight | 302.200 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F |