| SpectraBase Compound ID | 1gcStTQqFz |
|---|---|
| InChI | InChI=1S/C26H33NO6/c1-3-4-5-6-12-24(30)27(2)13-8-10-20-17-22-16-19(28)15-21(32-22)14-18-9-7-11-23(29)25(18)26(31)33-20/h4-9,11-13,19-22,28-29H,3,10,14-17H2,1-2H3/b5-4-,12-6-,13-8+/t19-,20+,21+,22-/m1/s1 |
| InChIKey | LDEDNJWNJPSAFO-PDDHWBDVSA-N |
| Mol Weight | 455.6 g/mol |
| Molecular Formula | C26H33NO6 |
| Exact Mass | 455.230788 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4gXHrQgofd |
|---|---|
| Name | MAJOR-ROTAMER |
| Compound Number | 41 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H33NO6 |
| InChI | InChI=1S/C26H33NO6/c1-3-4-5-6-12-24(30)27(2)13-8-10-20-17-22-16-19(28)15-21(32-22)14-18-9-7-11-23(29)25(18)26(31)33-20/h4-9,11-13,19-22,28-29H,3,10,14-17H2,1-2H3/b5-4-,12-6-,13-8+/t19-,20+,21+,22-/m1/s1 |
| InChIKey | LDEDNJWNJPSAFO-PDDHWBDVSA-N |
| Literature Reference Author | A.F.PETRI,F.SASSE,M.E.MAIER |
| Literature Reference Citation | EUR.J.ORG.CHEM.,1865(2005) |
| Molecular Weight | 455.551 g/mol |
| Sample ID | 39170 |
| Solvent | ACETONE-D6 |