| SpectraBase Compound ID | JDBoRZ6CgbM |
|---|---|
| InChI | InChI=1S/C41H35N6O5P/c1-4-51-36(48)41-28(2)29(3)52-35(41)39(27-43)30(26-42)25-40(41,47-38(50)45(37(49)46(39)47)31-17-9-5-10-18-31)44-53(32-19-11-6-12-20-32,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-25,28-29,35H,4H2,1-3H3/t28?,29-,35+,39+,40-,41+/m1/s1 |
| InChIKey | QYSOTUGJNRBCTL-RXQVOQODSA-N |
| Mol Weight | 722.7 g/mol |
| Molecular Formula | C41H35N6O5P |
| Exact Mass | 722.240655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCjwqFzZ0Vr |
|---|---|
| Name | QYSOTUGJNRBCTL-YCAUGENESA-N |
| CAS Registry Number | 115483-82-4 |
| Compound Number | 4C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H35N6O5P |
| InChI | InChI=1S/C41H35N6O5P/c1-4-51-36(48)41-28(2)29(3)52-35(41)39(27-43)30(26-42)25-40(41,47-38(50)45(37(49)46(39)47)31-17-9-5-10-18-31)44-53(32-19-11-6-12-20-32,33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-25,28-29,35H,4H2,1-3H3/t28?,29-,35+,39+,40-,41+/m1/s1 |
| InChIKey | QYSOTUGJNRBCTL-RXQVOQODSA-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 | 722.740 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGB1700 |