| SpectraBase Compound ID | DJNXcEfBdp6 |
|---|---|
| InChI | InChI=1S/C39H53F3O7/c1-26(18-20-29-25-31(45-7)24-28(3)34(29)46-8)14-13-15-27(2)19-21-33(37(6)23-22-32(49-37)36(4,5)44)48-35(43)38(47-9,39(40,41)42)30-16-11-10-12-17-30/h10-12,15-18,24-25,32-33,44H,13-14,19-23H2,1-9H3/b26-18+,27-15+ |
| InChIKey | KGWZVQZMNMOZLB-DXHBDSOTSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C39H53F3O7 |
| Exact Mass | 690.374339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BjCI1qLcMdz |
|---|---|
| Name | KGWZVQZMNMOZLB-DXHBDSOTSA-N |
| Compound Number | (S)-MTPA-ESTER-#10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H53F3O7 |
| InChI | InChI=1S/C39H53F3O7/c1-26(18-20-29-25-31(45-7)24-28(3)34(29)46-8)14-13-15-27(2)19-21-33(37(6)23-22-32(49-37)36(4,5)44)48-35(43)38(47-9,39(40,41)42)30-16-11-10-12-17-30/h10-12,15-18,24-25,32-33,44H,13-14,19-23H2,1-9H3/b26-18+,27-15+ |
| InChIKey | KGWZVQZMNMOZLB-DXHBDSOTSA-N |
| Literature Reference Author | B.BIAN,I.A.VANALTENA |
| Literature Reference Citation | AUSTR.J.CHEM.,51,1157(1998) |
| Literature Reference DOI | 10.1071/C98008 |
| Molecular Weight | 690.841 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS21847 |