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4-HYDROXY-3-(4-HYDROXYBUTYRYL)-5-METHYL-2(5H)-FURANONE

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4-HYDROXY-3-(4-HYDROXYBUTYRYL)-5-METHYL-2(5H)-FURANONE
SpectraBase Compound ID L6DXdr7iSX0
InChI InChI=1S/C9H12O5/c1-5-8(12)7(9(13)14-5)6(11)3-2-4-10/h5,10,12H,2-4H2,1H3
InChIKey VZBAEWPSWQOTBS-UHFFFAOYSA-N
Mol Weight 200.19 g/mol
Molecular Formula C9H12O5
Exact Mass 200.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtAstQFcesM
Name Carolic acid, open chain form
CAS Registry Number 3653-33-6
Comments 13C-LABELLED
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C9H12O5
InChI InChI=1S/C9H12O5/c1-5-8(12)7(9(13)14-5)6(11)3-2-4-10/h5,10,12H,2-4H2,1H3
InChIKey VZBAEWPSWQOTBS-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference J.P. Jacobsen, T. Reffstrup, P.M.Boll, Acta Chem. Scand. B31, 505 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3