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Isoapetalic acid, methyl ester
SpectraBase Compound ID KRKaEdjzDJR
InChI InChI=1S/C23H30O6/c1-7-8-14(11-16(24)27-6)17-21-15(9-10-23(4,5)29-21)20(26)18-19(25)12(2)13(3)28-22(17)18/h9-10,12-14,26H,7-8,11H2,1-6H3
InChIKey JDIQSGWDOULBFU-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C23H30O6
Exact Mass 402.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1C9KD0uEjeF
Name Isoapetalic acid, methyl ester
CAS Registry Number 34336-10-2
Comments SHIFT OF 100 PPM FOR C10 AND C12 CHANGED TO 160 PPM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H30O6
InChI InChI=1S/C23H30O6/c1-7-8-14(11-16(24)27-6)17-21-15(9-10-23(4,5)29-21)20(26)18-19(25)12(2)13(3)28-22(17)18/h9-10,12-14,26H,7-8,11H2,1-6H3
InChIKey JDIQSGWDOULBFU-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