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(3Z)-3-butylidene-4,5-dihydroxy-2-benzofuran-1-one
SpectraBase Compound ID 2Ac13AOnRaX
InChI InChI=1S/C12H12O4/c1-2-3-4-9-10-7(12(15)16-9)5-6-8(13)11(10)14/h4-6,13-14H,2-3H2,1H3/b9-4-
InChIKey PRMVTSHKUKCUMS-WTKPLQERSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BW6QHiYCXqv
Name Dihydroxy-Z-4,5-butylidene-3-phthalide
CAS Registry Number 116541-09-4
Comments SHIFT FOR C-1 18.4 PPM IN REFERENCE?] MISPRINT]
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-2-3-4-9-10-7(12(15)16-9)5-6-8(13)11(10)14/h4-6,13-14H,2-3H2,1H3/b9-4-
InChIKey PRMVTSHKUKCUMS-WTKPLQERSA-N
Instrument Name Cameca
Literature Reference M. Puech-Baronnat, M. Kaouadji, Planta Medica 50, 105 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD