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UPWHTGCTXDUSGB-UHFFFAOYSA-O

View entire compound with spectra: 1 NMR

UPWHTGCTXDUSGB-UHFFFAOYSA-O
SpectraBase Compound ID ISoFcWPAfXI
InChI InChI=1S/C44H54O4P.C2H7N/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29-15-31-23-36(44(10,11)12)24-32-16-30-22-35(43(7,8)9)20-28-14-26(18-33)37(25)45-49(46-38(27)29,47-39(28)30)48-40(31)32;1-3-2/h17-24H,13-16,49H2,1-12H3;3H,1-2H3/q-1;/p+1
InChIKey UPWHTGCTXDUSGB-UHFFFAOYSA-O
Mol Weight 723.0 g/mol
Molecular Formula C46H61NO4P
Exact Mass 722.433821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AE9Wp80J2b5
Name UPWHTGCTXDUSGB-UHFFFAOYSA-O
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H61NO4P
InChI InChI=1S/C44H54O4P.C2H7N/c1-41(2,3)33-17-25-13-27-19-34(42(4,5)6)21-29-15-31-23-36(44(10,11)12)24-32-16-30-22-35(43(7,8)9)20-28-14-26(18-33)37(25)45-49(46-38(27)29,47-39(28)30)48-40(31)32;1-3-2/h17-24H,13-16,49H2,1-12H3;3H,1-2H3/q-1;/p+1
InChIKey UPWHTGCTXDUSGB-UHFFFAOYSA-O
Literature Reference Author D.V.KHASNIS,M.LATTMAN,C.D.GUTSCHE
Literature Reference Citation J.AM.CHEM.SOC.,112,9422(1990)
Literature Reference DOI 10.1021/ja00181a071
Molecular Weight 722.968 g/mol
Solvent THF-D8