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3-(4-METHOXY-3-NITROPHENYL)-E-[1.2-(13)-C2]-PROP-2-ENOIC_ACID
SpectraBase Compound ID BIbHqQgjlGz
InChI InChI=1S/C10H9NO5/c1-16-9-4-2-7(3-5-10(12)13)6-8(9)11(14)15/h2-6H,1H3,(H,12,13)/b5-3+/i5+1,10+1
InChIKey ZTPILCFVGFXZOA-YIIQZACYSA-N
Mol Weight 225.17 g/mol
Molecular Formula C813C2H9NO5
Exact Mass 225.054782 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPbJV3GMtaj
Name 3-(4-METHOXY-3-NITROPHENYL)-E-[1.2-(13)-C2]-PROP-2-ENOIC_ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H9NO5
InChI InChI=1S/C10H9NO5/c1-16-9-4-2-7(3-5-10(12)13)6-8(9)11(14)15/h2-6H,1H3,(H,12,13)/b5-3+/i5+1,10+1
InChIKey ZTPILCFVGFXZOA-YIIQZACYSA-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 223.185 g/mol
Solvent DMSO-D6
Source File Reference UWMZ24427