| SpectraBase Compound ID | 1SJm5l6Ml8U |
|---|---|
| InChI | InChI=1S/C39H31N6O4PS/c1-2-49-34(46)37-23-24-51-33(37)38(27-41)28(26-40)25-39(37,45-36(48)43(35(47)44(38)45)29-15-7-3-8-16-29)42-50(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-22,25,33H,2,23-24H2,1H3/t33-,37-,38-,39+/m0/s1 |
| InChIKey | UASYCYXROHZFQO-YWCNFJNWSA-N |
| Mol Weight | 710.7 g/mol |
| Molecular Formula | C39H31N6O4PS |
| Exact Mass | 710.186512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ozg531yah2 |
|---|---|
| Name | UASYCYXROHZFQO-YWCNFJNWSA-N |
| CAS Registry Number | 115483-84-6 |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H31N6O4PS |
| InChI | InChI=1S/C39H31N6O4PS/c1-2-49-34(46)37-23-24-51-33(37)38(27-41)28(26-40)25-39(37,45-36(48)43(35(47)44(38)45)29-15-7-3-8-16-29)42-50(30-17-9-4-10-18-30,31-19-11-5-12-20-31)32-21-13-6-14-22-32/h3-22,25,33H,2,23-24H2,1H3/t33-,37-,38-,39+/m0/s1 |
| InChIKey | UASYCYXROHZFQO-YWCNFJNWSA-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 | 710.747 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1704 |