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Cassamic acid
SpectraBase Compound ID 2wAxhl7mhE4
InChI InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10+
InChIKey LXJSFBJEYLPDJS-JLHYYAGUSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ArwqBsUDNx0
Name Cassamic acid
CAS Registry Number 471-70-5
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-12-13(10-17(23)24)6-7-14-18(12)15(22)11-16-20(14,2)8-5-9-21(16,3)19(25)26-4/h10,12,14,16,18H,5-9,11H2,1-4H3,(H,23,24)/b13-10+
InChIKey LXJSFBJEYLPDJS-JLHYYAGUSA-N
Instrument Name Varian XL-100
Literature Reference J.D. Connolly, F. Orsini, F. Pelizzoni, Org. Magn. Resonance 17, 163 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5
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