| SpectraBase Compound ID | 1rPZpBtzNKA |
|---|---|
| InChI | InChI=1S/C16H11F7O2/c17-14(18,15(19,20)16(21,22)23)9-25-13(24)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2 |
| InChIKey | CBCARLORCICRRO-UHFFFAOYSA-N |
| Mol Weight | 368.25 g/mol |
| Molecular Formula | C16H11F7O2 |
| Exact Mass | 368.064727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GOL0QAc8sna |
|---|---|
| Name | 1-Naphthylacetic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.064726733 u |
| Formula | C16H11F7O2 |
| InChI | InChI=1S/C16H11F7O2/c17-14(18,15(19,20)16(21,22)23)9-25-13(24)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2 |
| InChIKey | CBCARLORCICRRO-UHFFFAOYSA-N |
| Molecular Weight | 368.251 g/mol |
| SMILES | C1=CC=C2C(=C1CC(=O)OCC(C(C(F)(F)F)(F)F)(F)F)C=CC=C2 |