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3-(4-HYDROXY-3-NITROPHENYL)-E-[1.2-(13)-C2]-PROP-2-ENOIC_ACID
SpectraBase Compound ID F7tcOmTPR0s
InChI InChI=1S/C9H7NO5/c11-8-3-1-6(2-4-9(12)13)5-7(8)10(14)15/h1-5,11H,(H,12,13)/b4-2+/i4+1,9+1
InChIKey HCGMDTLRKLJPHE-HZQMTAQWSA-N
Mol Weight 211.14 g/mol
Molecular Formula C713C2H7NO5
Exact Mass 211.039132 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lwmpp0TmCsJ
Name 3-(4-HYDROXY-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 C9H7NO5
InChI InChI=1S/C9H7NO5/c11-8-3-1-6(2-4-9(12)13)5-7(8)10(14)15/h1-5,11H,(H,12,13)/b4-2+/i4+1,9+1
InChIKey HCGMDTLRKLJPHE-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 209.158 g/mol
Solvent DMSO-D6
Source File Reference UWMZ24428