| SpectraBase Compound ID | 8KDCQTsFhg6 |
|---|---|
| InChI | InChI=1S/C44H54F2O2/c1-41(2,3)33-21-29-15-25-13-28(38(46)35(17-25)43(7,8)9)20-32-24-34(42(4,5)6)22-30(40(32)48)16-26-14-27(19-31(23-33)39(29)47)37(45)36(18-26)44(10,11)12/h13-14,17-18,21-24,47-48H,15-16,19-20H2,1-12H3/i13D,14D,19D,20D/t19-,20+ |
| InChIKey | BYHGUTOUTNHUOD-AXJXSGNYSA-N |
| Mol Weight | 656.9 g/mol |
| Molecular Formula | C44H502H4F2O2 |
| Exact Mass | 656.434294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9A8eAlzzoxY |
|---|---|
| Name | BYHGUTOUTNHUOD-AXJXSGNYSA-N |
| Compound Number | 9A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H502H4F2O2 |
| InChI | InChI=1S/C44H54F2O2/c1-41(2,3)33-21-29-15-25-13-28(38(46)35(17-25)43(7,8)9)20-32-24-34(42(4,5)6)22-30(40(32)48)16-26-14-27(19-31(23-33)39(29)47)37(45)36(18-26)44(10,11)12/h13-14,17-18,21-24,47-48H,15-16,19-20H2,1-12H3/i13D,14D,19D,20D/t19-,20+ |
| InChIKey | BYHGUTOUTNHUOD-AXJXSGNYSA-N |
| Literature Reference Author | K.AGBARIA,J.WOEHNERT,S.E.BIALI |
| Literature Reference Citation | J.ORG.CHEM.,66,7059(2001) |
| Literature Reference DOI | 10.1021/jo010509s |
| Molecular Weight | 656.933 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26543 |