| SpectraBase Compound ID | GL3IWgI5WMy |
|---|---|
| InChI | InChI=1S/C40H55N3O2/c1-27(2)9-8-10-28(3)35-18-19-36-34-17-12-29-25-33(20-22-39(29,4)37(34)21-23-40(35,36)5)45-38(44)43-31-15-13-30(14-16-31)42-26-32-11-6-7-24-41-32/h6-7,11-16,24,26-28,33-37H,8-10,17-23,25H2,1-5H3,(H,43,44)/b42-26-/t28-,33+,34+,35-,36+,37+,39+,40-/m1/s1 |
| InChIKey | KXXFNGOWHWEBTE-ZRBXFPRCSA-N |
| Mol Weight | 609.9 g/mol |
| Molecular Formula | C40H55N3O2 |
| Exact Mass | 609.429428 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzuPfpM89lc |
|---|---|
| Name | KXXFNGOWHWEBTE-ZRBXFPRCSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H55N3O2 |
| InChI | InChI=1S/C40H55N3O2/c1-27(2)9-8-10-28(3)35-18-19-36-34-17-12-29-25-33(20-22-39(29,4)37(34)21-23-40(35,36)5)45-38(44)43-31-15-13-30(14-16-31)42-26-32-11-6-7-24-41-32/h6-7,11-16,24,26-28,33-37H,8-10,17-23,25H2,1-5H3,(H,43,44)/b42-26-/t28-,33+,34+,35-,36+,37+,39+,40-/m1/s1 |
| InChIKey | KXXFNGOWHWEBTE-ZRBXFPRCSA-N |
| Literature Reference Author | H.BUNZEN,E.KOLEHMAINEN |
| Literature Reference Citation | MOLECULES,18,3745(2013) |
| Literature Reference DOI | 10.3390/molecules18043745 |
| Molecular Weight | 609.896 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT9141 |