| SpectraBase Compound ID | 9x7TxpXP7g8 |
|---|---|
| InChI | InChI=1S/C43H35N5O12P2S/c49-40(29-16-6-1-7-17-29)47-38-35-39(45-27-44-38)48(28-46-35)41-37(57-43(51)31-20-10-3-11-21-31)36(56-42(50)30-18-8-2-9-19-30)34(55-41)26-54-62(53,63)60-61(52,58-32-22-12-4-13-23-32)59-33-24-14-5-15-25-33/h1-25,27-28,34,36-37,41H,26H2,(H,53,63)(H,44,45,47,49)/p-1/t34-,36-,37-,41-,62?/m0/s1 |
| InChIKey | PBQVGHMDHHORTQ-KGFRVLTESA-M |
| Mol Weight | 906.8 g/mol |
| Molecular Formula | C43H34N5O12P2S |
| Exact Mass | 906.139992 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5qf9QrRHdSi |
|---|---|
| Name | PBQVGHMDHHORTQ-KGFRVLTESA-M |
| Compound Number | 10B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H34N5O12P2S |
| InChI | InChI=1S/C43H35N5O12P2S/c49-40(29-16-6-1-7-17-29)47-38-35-39(45-27-44-38)48(28-46-35)41-37(57-43(51)31-20-10-3-11-21-31)36(56-42(50)30-18-8-2-9-19-30)34(55-41)26-54-62(53,63)60-61(52,58-32-22-12-4-13-23-32)59-33-24-14-5-15-25-33/h1-25,27-28,34,36-37,41H,26H2,(H,53,63)(H,44,45,47,49)/p-1/t34-,36-,37-,41-,62?/m0/s1 |
| InChIKey | PBQVGHMDHHORTQ-KGFRVLTESA-M |
| Literature Reference Author | T.MORIGUCHI,T.YANAGI,T.WADA,M.SEKINE |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1859(1999) |
| Literature Reference DOI | 10.1039/a900985j |
| Solvent | C5H5N:C5D5N=4:1 |
| Source File Reference | UWSI8034 |