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4-(1-HEXYN-1-YL)-BENZOIC-ACID

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4-(1-HEXYN-1-YL)-BENZOIC-ACID
SpectraBase Compound ID 5oF3sUDERxE
InChI InChI=1S/C13H14O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-4H2,1H3,(H,14,15)
InChIKey RSFSWQRWLDUJQQ-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 AWEp7KfxIRt
Name 4-(1-HEXYN-1-YL)-BENZOIC-ACID
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-4H2,1H3,(H,14,15)
InChIKey RSFSWQRWLDUJQQ-UHFFFAOYSA-N
Literature Reference Author G.A.MOLANDER,B.W.KATONA,F.MACHROUHI
Literature Reference Citation J.ORG.CHEM.,67,8416(2002)
Literature Reference DOI 10.1021/jo0262356
Molecular Weight 202.253 g/mol
Solvent CDCl3
Source File Reference UWVN23649