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4-[[(E)-non-2-en-4,6,8-triynoyl]amino]benzoic acid
SpectraBase Compound ID JfTt37eOXT6
InChI InChI=1S/C16H9NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h1,7-12H,(H,17,18)(H,19,20)/b8-7+
InChIKey ZMNUDGJNLWIUAJ-BQYQJAHWSA-N
Mol Weight 263.25 g/mol
Molecular Formula C16H9NO3
Exact Mass 263.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9wbzHHcH0Gc
Name 4-[[(E)-non-2-en-4,6,8-triynoyl]amino]benzoic acid
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H9NO3
InChI InChI=1S/C16H9NO3/c1-2-3-4-5-6-7-8-15(18)17-14-11-9-13(10-12-14)16(19)20/h1,7-12H,(H,17,18)(H,19,20)/b8-7+
InChIKey ZMNUDGJNLWIUAJ-BQYQJAHWSA-N
Literature Reference Author C.A.PARISH,J.HUBER,J.BAXTER,A.GONZALEZ,J.COLLADO,G.PLATAS,M. T.DIEZ,F.VICENTE,K.D
Literature Reference Citation J.NAT.PROD.,67,1900(2004)
Literature Reference DOI 10.1021/np0497853
Molecular Weight 263.252 g/mol
Solvent DMSO-D6
Source File Reference UWMZ6758