| SpectraBase Compound ID | 99mmlzXA3oy |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c1-11-7-8-14(21-15(20)16(17,18)19)13(9-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChIKey | NKSYVDWKPZZPJQ-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CLbDHOyUql |
|---|---|
| Name | 2-Benzyl-4-methylphenol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.086764146 u |
| Formula | C16H13F3O2 |
| InChI | InChI=1S/C16H13F3O2/c1-11-7-8-14(21-15(20)16(17,18)19)13(9-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3 |
| InChIKey | NKSYVDWKPZZPJQ-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=C(C=C(C=C1)C)CC1=CC=CC=C1 |