| SpectraBase Compound ID | 2l0dxD48ohH |
|---|---|
| InChI | InChI=1S/C40H33N6O5P/c1-3-50-35(47)38-24-28(2)51-34(38)39(27-42)29(26-41)25-40(38,46-37(49)44(36(48)45(39)46)30-16-8-4-9-17-30)43-52(31-18-10-5-11-19-31,32-20-12-6-13-21-32)33-22-14-7-15-23-33/h4-23,25,28,34H,3,24H2,1-2H3/t28-,34+,38+,39+,40-/m1/s1 |
| InChIKey | AIJAEVAWIHUTEM-BBTUVXTPSA-N |
| Mol Weight | 708.7 g/mol |
| Molecular Formula | C40H33N6O5P |
| Exact Mass | 708.225005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LafiI963iy2 |
|---|---|
| Name | AIJAEVAWIHUTEM-BBTUVXTPSA-N |
| CAS Registry Number | 115483-80-2 |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H33N6O5P |
| InChI | InChI=1S/C40H33N6O5P/c1-3-50-35(47)38-24-28(2)51-34(38)39(27-42)29(26-41)25-40(38,46-37(49)44(36(48)45(39)46)30-16-8-4-9-17-30)43-52(31-18-10-5-11-19-31,32-20-12-6-13-21-32)33-22-14-7-15-23-33/h4-23,25,28,34H,3,24H2,1-2H3/t28-,34+,38+,39+,40-/m1/s1 |
| InChIKey | AIJAEVAWIHUTEM-BBTUVXTPSA-N |
| Literature Reference Author | H.WAMHOFF,F.J.FASSBENDER,M.NIEGER |
| Literature Reference Citation | CHEM.BER.,121,2157(1988) |
| Literature Reference DOI | 10.1002/cber.19881211214 |
| Molecular Weight | 708.713 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1698 |