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Benzoic acid, 4-methoxy-, 3,3-dimethyl-1-butynyl ester

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Benzoic acid, 4-methoxy-, 3,3-dimethyl-1-butynyl ester
SpectraBase Compound ID DwTrmRR7wYl
InChI InChI=1S/C14H16O3/c1-14(2,3)9-10-17-13(15)11-5-7-12(16-4)8-6-11/h5-8H,1-4H3
InChIKey PJGNFNOPZYXLFK-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16qAkcpzPVz
Name 4-Methoxy-benzoic acid, (3,3-dimethyl-1-butyn-1-yl) ester
CAS Registry Number 104911-37-7
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-14(2,3)9-10-17-13(15)11-5-7-12(16-4)8-6-11/h5-8H,1-4H3
InChIKey PJGNFNOPZYXLFK-UHFFFAOYSA-N
Literature Reference P.J. Stang, M. Boeshar, J.Lin, J. Am. Chem. Soc. 108, 7832 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3