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Benzenepropanoic acid, 3,3-dimethyl-1-butynyl ester

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Benzenepropanoic acid, 3,3-dimethyl-1-butynyl ester
SpectraBase Compound ID JtzOcM4sOiR
InChI InChI=1S/C15H18O2/c1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKey HIORYLNKXNOEEY-UHFFFAOYSA-N
Mol Weight 230.31 g/mol
Molecular Formula C15H18O2
Exact Mass 230.13068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OYrBWq2UYb
Name 3-Phenyl-propionic acid, (3,3-dimethyl-1-butynyl) ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C15H18O2
InChI InChI=1S/C15H18O2/c1-15(2,3)11-12-17-14(16)10-9-13-7-5-4-6-8-13/h4-8H,9-10H2,1-3H3
InChIKey HIORYLNKXNOEEY-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference P.J. Stang, M. Boeshar, H. Wingert, J. Am. Chem. Soc. 110, 3272 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3