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Centipeda acid, methyl ester

View entire compound with spectra: 1 NMR

Centipeda acid, methyl ester
SpectraBase Compound ID 6or2y22dfQV
InChI InChI=1S/C21H30O3/c1-17(2)8-5-12-20(21(22)23-4)13-7-10-18(3)9-6-11-19-14-15-24-16-19/h8-9,13-16H,5-7,10-12H2,1-4H3/b18-9+,20-13-
InChIKey VXAPUYRRCZPZDB-OJAHECDASA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8cjTL41WIiH
Name Centipeda acid, methyl ester
CAS Registry Number 72943-84-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H30O3
InChI InChI=1S/C21H30O3/c1-17(2)8-5-12-20(21(22)23-4)13-7-10-18(3)9-6-11-19-14-15-24-16-19/h8-9,13-16H,5-7,10-12H2,1-4H3/b18-9+,20-13-
InChIKey VXAPUYRRCZPZDB-OJAHECDASA-N
Instrument Name Varian CFT-20
Literature Reference F. Bohlmann, P. Mahanta, Phytochem. 18, 1067 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3