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3-(3-AMINO-4-HYDROXYPHENYL)-E-[1.2-(13)-C2]-PROP-2-ENOIC_ACID
SpectraBase Compound ID EdXQRz6aJUv
InChI InChI=1S/C9H9NO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,10H2,(H,12,13)/b4-2+/i4+1,9+1
InChIKey YFSWWWWRYQAWSB-HZQMTAQWSA-N
Mol Weight 181.16 g/mol
Molecular Formula C713C2H9NO3
Exact Mass 181.064953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lt7tP44ymAR
Name 3-(3-AMINO-4-HYDROXYPHENYL)-E-[1.2-(13)-C2]-PROP-2-ENOIC_ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5,11H,10H2,(H,12,13)/b4-2+/i4+1,9+1
InChIKey YFSWWWWRYQAWSB-HZQMTAQWSA-N
Literature Reference Author Y.HU,H.G.FLOSS
Literature Reference Citation J.AM.CHEM.SOC.,126,3837(2004)
Literature Reference DOI 10.1021/ja039336+
Molecular Weight 179.175 g/mol
Solvent DMSO-D6
Source File Reference UWMZ24429