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Lecanoric acid

View entire compound with spectra: 7 NMR, and 2 MS (GC)

Lecanoric acid
SpectraBase Compound ID 7qH9isNG7Ln
InChI InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
InChIKey HEMSJKZDHNSSEW-UHFFFAOYSA-N
Mol Weight 318.28 g/mol
Molecular Formula C16H14O7
Exact Mass 318.073953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZotSZqJ37z
Name Lecanoric acid
CAS Registry Number 480-56-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14O7
InChI InChI=1S/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
InChIKey HEMSJKZDHNSSEW-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, S. Huneck, Chemica Scripta 16, 197 (1980).
NMR Standard DMSO-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6