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PBQVGHMDHHORTQ-KGFRVLTESA-M
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

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