| SpectraBase Compound ID | 5q8jnM7zdwj |
|---|---|
| InChI | InChI=1S/C18H21F7O2/c1-14(2,3)10-7-8-12(11(9-10)15(4,5)6)27-13(26)16(19,20)17(21,22)18(23,24)25/h7-9H,1-6H3 |
| InChIKey | CHBUNYBVMBJZDW-UHFFFAOYSA-N |
| Mol Weight | 402.35 g/mol |
| Molecular Formula | C18H21F7O2 |
| Exact Mass | 402.142977 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6z0bxVqjMAO |
|---|---|
| Name | 2,4-di-Tert-butylphenol, o-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.142977055 u |
| Formula | C18H21F7O2 |
| InChI | InChI=1S/C18H21F7O2/c1-14(2,3)10-7-8-12(11(9-10)15(4,5)6)27-13(26)16(19,20)17(21,22)18(23,24)25/h7-9H,1-6H3 |
| InChIKey | CHBUNYBVMBJZDW-UHFFFAOYSA-N |
| Molecular Weight | 402.353 g/mol |
| SMILES | C(C)(C)(C)C1=CC(C(C)(C)C)=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F |