| SpectraBase Compound ID | IwzG2SK5iXe |
|---|---|
| InChI | InChI=1S/C38H43N3O9/c1-5-45-32-21-30-35(40-23-25(3)34(42)39-36(40)43)48-31(37(30)22-33(46-6-2)50-41(37)49-32)24-47-38(26-13-9-7-10-14-26,27-15-11-8-12-16-27)28-17-19-29(44-4)20-18-28/h7-20,23,30-33,35H,5-6,21-22,24H2,1-4H3,(H,39,42,43)/t30-,31+,32+,33-,35+,37-/m0/s1 |
| InChIKey | XSKBNZOUXIXCQY-YGHDYZHNSA-N |
| Mol Weight | 685.8 g/mol |
| Molecular Formula | C38H43N3O9 |
| Exact Mass | 685.29993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5IGKGesA1iO |
|---|---|
| Name | XSKBNZOUXIXCQY-YGHDYZHNSA-N |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H43N3O9 |
| InChI | InChI=1S/C38H43N3O9/c1-5-45-32-21-30-35(40-23-25(3)34(42)39-36(40)43)48-31(37(30)22-33(46-6-2)50-41(37)49-32)24-47-38(26-13-9-7-10-14-26,27-15-11-8-12-16-27)28-17-19-29(44-4)20-18-28/h7-20,23,30-33,35H,5-6,21-22,24H2,1-4H3,(H,39,42,43)/t30-,31+,32+,33-,35+,37-/m0/s1 |
| InChIKey | XSKBNZOUXIXCQY-YGHDYZHNSA-N |
| Literature Reference Author | A.PAPCHIKHIN,P.AGBACK,J.PLAVEC,J.CHATTOPADHYAYA |
| Literature Reference Citation | J.ORG.CHEM.,58,2874(1993) |
| Literature Reference DOI | 10.1021/jo00062a036 |
| Molecular Weight | 685.774 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU738 |