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Phthalate anion mono(4-tolyl) ester

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Phthalate anion mono(4-tolyl) ester
SpectraBase Compound ID oHLq6ipDyk
InChI InChI=1S/C15H12O4/c1-10-6-8-11(9-7-10)19-15(18)13-5-3-2-4-12(13)14(16)17/h2-9H,1H3,(H,16,17)/p-1
InChIKey GOVBKFNXUNXORO-UHFFFAOYSA-M
Mol Weight 255.25 g/mol
Molecular Formula C15H11O4
Exact Mass 255.065734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IgAJmDPyzK1
Name Phthalate anion mono(4-tolyl) ester
Comments SODIUM SALT, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H11O4
InChI InChI=1S/C15H12O4/c1-10-6-8-11(9-7-10)19-15(18)13-5-3-2-4-12(13)14(16)17/h2-9H,1H3,(H,16,17)/p-1
InChIKey GOVBKFNXUNXORO-UHFFFAOYSA-M
Instrument Name Varian XL-100
Literature Reference H.M. Relles, D.S. Johnson, J.S. Manello, J. Am. Chem. Soc. 99, 6677 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMF-D7