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3,3-Dimethyl-1-butynyl benzoate

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3,3-Dimethyl-1-butynyl benzoate
SpectraBase Compound ID 38WsennMF3t
InChI InChI=1S/C13H14O2/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey PYBKBZHNHYPLAR-UHFFFAOYSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kPnd7ObUGw
Name Benzoic acid, (3,3-dimethyl-1-butyn-1-yl) ester
CAS Registry Number 104911-35-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-13(2,3)9-10-15-12(14)11-7-5-4-6-8-11/h4-8H,1-3H3
InChIKey PYBKBZHNHYPLAR-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