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3-(4-Methyl-phenoxy)-phthalic acid

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3-(4-Methyl-phenoxy)-phthalic acid
SpectraBase Compound ID DKjObgWa2tC
InChI InChI=1S/C15H12O5/c1-9-5-7-10(8-6-9)20-12-4-2-3-11(14(16)17)13(12)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey MASDIQOFNICMGE-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C15H12O5
Exact Mass 272.068473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H334jQzlgVm
Name 3-(4-Methyl-phenoxy)-phthalic acid
CAS Registry Number 63181-80-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H12O5
InChI InChI=1S/C15H12O5/c1-9-5-7-10(8-6-9)20-12-4-2-3-11(14(16)17)13(12)15(18)19/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey MASDIQOFNICMGE-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference F.J. Williams, H.M. Relles, P.E. Donahue, J. Org. Chem. 42, 3425 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6