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3-Nitro-2-(4-methyl-phenoxy-carbonyl)-benzoic acid, anion

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3-Nitro-2-(4-methyl-phenoxy-carbonyl)-benzoic acid, anion
SpectraBase Compound ID FGnknTo8czx
InChI InChI=1S/C15H11NO6/c1-9-5-7-10(8-6-9)22-15(19)13-11(14(17)18)3-2-4-12(13)16(20)21/h2-8H,1H3,(H,17,18)/p-1
InChIKey LXPXFMRJGXASTG-UHFFFAOYSA-M
Mol Weight 300.25 g/mol
Molecular Formula C15H10NO6
Exact Mass 300.050812 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wdTKhYcBYw
Name 3-Nitro-2-(4-methyl-phenoxy-carbonyl)-benzoic acid, anion
CAS Registry Number 63196-18-9
Comments sodium salt
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H10NO6
InChI InChI=1S/C15H11NO6/c1-9-5-7-10(8-6-9)22-15(19)13-11(14(17)18)3-2-4-12(13)16(20)21/h2-8H,1H3,(H,17,18)/p-1
InChIKey LXPXFMRJGXASTG-UHFFFAOYSA-M
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