| SpectraBase Compound ID | 3DGRbjG591B |
|---|---|
| InChI | InChI=1S/C31H44N6O3/c1-21(13-17-37(20-38)26-27(32)35-19-36-28(26)33-5)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-40-29(39)24-9-7-16-34-24/h7-9,13,16,19-20,22,25,34H,6,10-12,14-15,17-18H2,1-5H3,(H3,32,33,35,36)/b21-13+ |
| InChIKey | QMWSOCFQOVCRKD-FYJGNVAPSA-N |
| Mol Weight | 548.7 g/mol |
| Molecular Formula | C31H44N6O3 |
| Exact Mass | 548.347489 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SueHM0H3OE |
|---|---|
| Name | Ageline B |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H44N6O3 |
| InChI | InChI=1S/C31H44N6O3/c1-21(13-17-37(20-38)26-27(32)35-19-36-28(26)33-5)11-14-30(3)22(2)12-15-31(4)23(8-6-10-25(30)31)18-40-29(39)24-9-7-16-34-24/h7-9,13,16,19-20,22,25,34H,6,10-12,14-15,17-18H2,1-5H3,(H3,32,33,35,36)/b21-13+ |
| InChIKey | QMWSOCFQOVCRKD-FYJGNVAPSA-N |
| Literature Reference | R.J. Capon, D.J. Faulkner, J. Am. Chem. Soc. 106, 1819 (1984). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |