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Isoapetalic acid, methyl ester N-butyl-isomer

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Isoapetalic acid, methyl ester N-butyl-isomer
SpectraBase Compound ID 78qTX2gmLHw
InChI InChI=1S/C24H32O6/c1-7-8-9-15(12-17(25)28-6)18-22-16(10-11-24(4,5)30-22)21(27)19-20(26)13(2)14(3)29-23(18)19/h10-11,13-15,27H,7-9,12H2,1-6H3
InChIKey XKFLGUFSMXRPTA-UHFFFAOYSA-N
Mol Weight 416.5 g/mol
Molecular Formula C24H32O6
Exact Mass 416.219889 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1K83UmLAwui
Name Isoapetalic acid, methyl ester N-butyl-isomer
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H32O6
InChI InChI=1S/C24H32O6/c1-7-8-9-15(12-17(25)28-6)18-22-16(10-11-24(4,5)30-22)21(27)19-20(26)13(2)14(3)29-23(18)19/h10-11,13-15,27H,7-9,12H2,1-6H3
InChIKey XKFLGUFSMXRPTA-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference R.D. Plattner, G.F. Spencer, Phytochem. 13, 2597 (1974).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3