| SpectraBase Compound ID | 5CDrONMNfRc |
|---|---|
| InChI | InChI=1S/C17H13F3O2/c18-17(19,20)16(21)22-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15H,7,10H2 |
| InChIKey | ZDTMPMZWZHYHEH-UHFFFAOYSA-N |
| Mol Weight | 306.28 g/mol |
| Molecular Formula | C17H13F3O2 |
| Exact Mass | 306.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9sXEwEViPLx |
|---|---|
| Name | 4-(1-Indanyl)phenol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.086764146 u |
| Formula | C17H13F3O2 |
| InChI | InChI=1S/C17H13F3O2/c18-17(19,20)16(21)22-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)15/h1-6,8-9,15H,7,10H2 |
| InChIKey | ZDTMPMZWZHYHEH-UHFFFAOYSA-N |
| Molecular Weight | 306.284 g/mol |
| SMILES | C1(OC(C(F)(F)F)=O)=CC=C(C=C1)C1CCC2=C1C=CC=C2 |