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Citrinin

View entire compound with spectra: 25 NMR

Citrinin
SpectraBase Compound ID DdH4qa40dIC
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)
InChIKey CBGDIJWINPWWJW-UHFFFAOYSA-N
Mol Weight 250.25 g/mol
Molecular Formula C13H14O5
Exact Mass 250.084124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5M97b8osisW
Name Citrinin
CAS Registry Number 518-75-2
Comments MAJOR ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O5
InChI InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,14H,1-3H3,(H,16,17)
InChIKey CBGDIJWINPWWJW-UHFFFAOYSA-N
Instrument Name Bruker AM-200
Literature Reference J. Barber, J.L. Cornford, T.D. Howard, J. Chem. Soc. Perkin I 2743 (1987).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O