| SpectraBase Compound ID | Efd4hzmIL1L |
|---|---|
| InChI | InChI=1S/C16H16F6O4/c1-2-3-4-5-6-10-7-8-11(25-13(23)15(17,18)19)9-12(10)26-14(24)16(20,21)22/h7-9H,2-6H2,1H3 |
| InChIKey | PJLLVNKQZYBDMO-UHFFFAOYSA-N |
| Mol Weight | 386.29 g/mol |
| Molecular Formula | C16H16F6O4 |
| Exact Mass | 386.095278 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9G77zjcNMs |
|---|---|
| Name | 1,3-Dihydroxy-N-hexylbenzene, di(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 386.095277969 u |
| Formula | C16H16F6O4 |
| InChI | InChI=1S/C16H16F6O4/c1-2-3-4-5-6-10-7-8-11(25-13(23)15(17,18)19)9-12(10)26-14(24)16(20,21)22/h7-9H,2-6H2,1H3 |
| InChIKey | PJLLVNKQZYBDMO-UHFFFAOYSA-N |
| Molecular Weight | 386.290 g/mol |
| SMILES | C1=C(C(=CC=C1OC(C(F)(F)F)=O)CCCCCC)OC(C(F)(F)F)=O |