| SpectraBase Compound ID | HQY0dEHgjDK |
|---|---|
| InChI | InChI=1S/C17H13F3O4/c18-17(19,20)16(22)24-14(13-9-5-2-6-10-13)15(21)23-11-12-7-3-1-4-8-12/h1-10,14H,11H2 |
| InChIKey | SMMYOPRIEPNIPN-UHFFFAOYSA-N |
| Mol Weight | 338.28 g/mol |
| Molecular Formula | C17H13F3O4 |
| Exact Mass | 338.076593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | U7VjhPOCAC |
|---|---|
| Name | Benzyl mandelate tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 338.076593384 u |
| Formula | C17H13F3O4 |
| InChI | InChI=1S/C17H13F3O4/c18-17(19,20)16(22)24-14(13-9-5-2-6-10-13)15(21)23-11-12-7-3-1-4-8-12/h1-10,14H,11H2 |
| InChIKey | SMMYOPRIEPNIPN-UHFFFAOYSA-N |
| Molecular Weight | 338.282 g/mol |
| SMILES | C(C=1C=CC=CC1)(C(OCC=1C=CC=CC1)=O)OC(C(F)(F)F)=O |