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Isopalinurin

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Isopalinurin
SpectraBase Compound ID C3bb3i1p0Df
InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h6,10-12,14-15,17-18,23,26H,5,7-9,13,16H2,1-4H3/b10-6+,19-11+,20-12+
InChIKey PZPXBUTUKYKUCW-NQRSMTDOSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQ5hseo2kuc
Name ISOPALINURIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h6,10-12,14-15,17-18,23,26H,5,7-9,13,16H2,1-4H3/b10-6+,19-11+,20-12+
InChIKey PZPXBUTUKYKUCW-NQRSMTDOSA-N
Literature Reference Author L.MURRAY,A.T.R.SIM,J.A.P.ROSTAS,R.J.CAPON
Literature Reference Citation AUSTR.J.CHEM.,46,1291(1993)
Literature Reference DOI 10.1071/ch9931291
Molecular Weight 398.543 g/mol
Solvent CDCl3
Source File Reference UWTS4135