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4-Ethynyl-benzoic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

4-Ethynyl-benzoic acid
SpectraBase Compound ID I3oiQdghrnC
InChI InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey SJXHLZCPDZPBPW-UHFFFAOYSA-N
Mol Weight 146.14 g/mol
Molecular Formula C9H6O2
Exact Mass 146.036779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4uSSL6ujgOR
Name 4-ETHYNYLBENZOIC-ACID
Compound Number 7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6O2
InChI InChI=1S/C9H6O2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H,(H,10,11)
InChIKey SJXHLZCPDZPBPW-UHFFFAOYSA-N
Literature Reference Author A.KRUPP,M.REGGELIN
Literature Reference Citation MAGN.RES.CHEM.,50,S45(2012)
Literature Reference DOI 10.1002/mrc.3894
Molecular Weight 146.145 g/mol
Solvent DMSO-D6
Source File Reference UWLU82436