| SpectraBase Compound ID | J0rsNvgYZM |
|---|---|
| InChI | InChI=1S/C27H34F3N3O5/c1-4-18(2)23(25(35)37-3)33-22(27(28,29)30)16-31-24(34)21(15-19-11-7-5-8-12-19)32-26(36)38-17-20-13-9-6-10-14-20/h5-14,18,21-23,33H,4,15-17H2,1-3H3,(H,31,34)(H,32,36)/t18?,21-,22-,23-/m0/s1 |
| InChIKey | JVTKCLULJTUNEI-VPEKBSMISA-N |
| Mol Weight | 537.6 g/mol |
| Molecular Formula | C27H34F3N3O5 |
| Exact Mass | 537.245056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7QlPyclpyQj |
|---|---|
| Name | JVTKCLULJTUNEI-VPEKBSMISA-N |
| Compound Number | 7D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H34F3N3O5 |
| InChI | InChI=1S/C27H34F3N3O5/c1-4-18(2)23(25(35)37-3)33-22(27(28,29)30)16-31-24(34)21(15-19-11-7-5-8-12-19)32-26(36)38-17-20-13-9-6-10-14-20/h5-14,18,21-23,33H,4,15-17H2,1-3H3,(H,31,34)(H,32,36)/t18?,21-,22-,23-/m0/s1 |
| InChIKey | JVTKCLULJTUNEI-VPEKBSMISA-N |
| Literature Reference Author | M.MOLTENI,A.VOLONTERIO,M.ZANDA |
| Literature Reference Citation | ORG.LETTERS,5,3887(2003) |
| Literature Reference DOI | 10.1021/ol0354730 |
| Molecular Weight | 537.579 g/mol |
| Sample ID | 48769 |
| Solvent | ACETONE-D6 |