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4-Propylbenzoic acid

View entire compound with spectra: 5 NMR, 5 FTIR, 1 Raman, 2 UV-Vis, and 3 MS (GC)

4-Propylbenzoic acid
SpectraBase Compound ID IKnzvtTpRlg
InChI InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey ATZHGRNFEFVDDJ-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4WKKPOKxW2z
Name 4-Propyl-benzoic acid
CAS Registry Number 2438-05-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h4-7H,2-3H2,1H3,(H,11,12)
InChIKey ATZHGRNFEFVDDJ-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference D.R. Crist, G.J. Jordan, D.W.Moore, J. Am. Chem. Soc. 105, 4136 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3