| SpectraBase Compound ID | J1dErABTySS |
|---|---|
| InChI | InChI=1S/C12H9F7O3/c1-21-8-4-2-3-7(5-8)6-22-9(20)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3 |
| InChIKey | CYULHWOWTYRXSB-UHFFFAOYSA-N |
| Mol Weight | 334.19 g/mol |
| Molecular Formula | C12H9F7O3 |
| Exact Mass | 334.043991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87RO1Ds1oAy |
|---|---|
| Name | 3-Methoxybenzyl alcohol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.043991288 u |
| Formula | C12H9F7O3 |
| InChI | InChI=1S/C12H9F7O3/c1-21-8-4-2-3-7(5-8)6-22-9(20)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3 |
| InChIKey | CYULHWOWTYRXSB-UHFFFAOYSA-N |
| Molecular Weight | 334.190 g/mol |
| SMILES | C1=C(C=CC=C1COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC |