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1,4-Bis(2'-hydroxy-5'-methyl-phenyl)-butane-1,4-dione
SpectraBase Compound ID CVltQDGlCVq
InChI InChI=1S/C18H18O4/c1-11-3-5-15(19)13(9-11)17(21)7-8-18(22)14-10-12(2)4-6-16(14)20/h3-6,9-10,19-20H,7-8H2,1-2H3
InChIKey IXLWDOWATMXBRE-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrqjE7Yph3A
Name 1,4-Bis(2'-hydroxy-5'-methyl-phenyl)-butane-1,4-dione
CAS Registry Number 13282-23-0
Comments SHIFT OF 178 PPM REPORTED FOR C2 MUST BE IN ERROR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-11-3-5-15(19)13(9-11)17(21)7-8-18(22)14-10-12(2)4-6-16(14)20/h3-6,9-10,19-20H,7-8H2,1-2H3
InChIKey IXLWDOWATMXBRE-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference P. Majumder, S. Saha, Phytochem. 17, 1439 (1978).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3