| SpectraBase Compound ID | 98ZCrLqel1c |
|---|---|
| InChI | InChI=1S/C27H31F5O2/c1-14(2)15-6-8-18-16(12-15)7-9-19-26(18,3)10-5-11-27(19,4)25(33)34-13-17-20(28)22(30)24(32)23(31)21(17)29/h6,12,14,18-19H,5,7-11,13H2,1-4H3/t18?,19?,26-,27-/m1/s1 |
| InChIKey | TVBSFCZNSXFBIA-AVIVEMRVSA-N |
| Mol Weight | 482.54 g/mol |
| Molecular Formula | C27H31F5O2 |
| Exact Mass | 482.224421 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C9gD9OGxCdW |
|---|---|
| Name | Levopimaric acid pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.224421051 u |
| Formula | C27H31F5O2 |
| InChI | InChI=1S/C27H31F5O2/c1-14(2)15-6-8-18-16(12-15)7-9-19-26(18,3)10-5-11-27(19,4)25(33)34-13-17-20(28)22(30)24(32)23(31)21(17)29/h6,12,14,18-19H,5,7-11,13H2,1-4H3/t18?,19?,26-,27-/m1/s1 |
| InChIKey | TVBSFCZNSXFBIA-AVIVEMRVSA-N |
| Molecular Weight | 482.535 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)F)F)COC([C@]1(C2[C@](C3CC=C(C=C3CC2)C(C)C)(C)CCC1)C)=O |