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2-(1,4,4-Trimethyl-1-phenyl-2-pentynyl)-benzoic acid
SpectraBase Compound ID ClJIZsN0DdP
InChI InChI=1S/C21H22O2/c1-20(2,3)14-15-21(4,16-10-6-5-7-11-16)18-13-9-8-12-17(18)19(22)23/h5-13H,1-4H3,(H,22,23)
InChIKey JGXXWUQHZOLJSF-UHFFFAOYSA-N
Mol Weight 306.4 g/mol
Molecular Formula C21H22O2
Exact Mass 306.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2c6sUG9PRkE
Name 2-(1,4,4-Trimethyl-1-phenyl-2-pentynyl)-benzoic acid
CAS Registry Number 74762-18-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H22O2
InChI InChI=1S/C21H22O2/c1-20(2,3)14-15-21(4,16-10-6-5-7-11-16)18-13-9-8-12-17(18)19(22)23/h5-13H,1-4H3,(H,22,23)
InChIKey JGXXWUQHZOLJSF-UHFFFAOYSA-N
Instrument Name Jeol PFT-100
Literature Reference E. Grovenstein, K.W. Chiu, B.B.Patil, J. Am. Chem. Soc. 102, 5848 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3