| SpectraBase Compound ID | AyiDDR8pyZG |
|---|---|
| InChI | InChI=1S/C27H27F5O3/c1-13(2)14-6-7-17-15(10-14)18(33)11-19-26(17,3)8-5-9-27(19,4)25(34)35-12-16-20(28)22(30)24(32)23(31)21(16)29/h6-7,10,13,19H,5,8-9,11-12H2,1-4H3/t19?,26-,27-/m1/s1 |
| InChIKey | JATLKFVBKAYMPX-DZXQMXLPSA-N |
| Mol Weight | 494.5 g/mol |
| Molecular Formula | C27H27F5O3 |
| Exact Mass | 494.188036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9KkYtzSPPUa |
|---|---|
| Name | 7-Oxodehydroabietic acid pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 494.188035541 u |
| Formula | C27H27F5O3 |
| InChI | InChI=1S/C27H27F5O3/c1-13(2)14-6-7-17-15(10-14)18(33)11-19-26(17,3)8-5-9-27(19,4)25(34)35-12-16-20(28)22(30)24(32)23(31)21(16)29/h6-7,10,13,19H,5,8-9,11-12H2,1-4H3/t19?,26-,27-/m1/s1 |
| InChIKey | JATLKFVBKAYMPX-DZXQMXLPSA-N |
| Molecular Weight | 494.502 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)COC([C@]1(C2[C@](C=3C=CC(=CC3C(C2)=O)C(C)C)(C)CCC1)C)=O |