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4-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]benzoic acid
SpectraBase Compound ID 5XXrvjXl2bH
InChI InChI=1S/C11H9NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)/b6-5+
InChIKey KDCFOKATFSLHQS-AATRIKPKSA-N
Mol Weight 235.19 g/mol
Molecular Formula C11H9NO5
Exact Mass 235.048072 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYKTRxZQZ5M
Name 4-[[(E)-4-hydroxy-4-keto-but-2-enoyl]amino]benzoic acid
Compound Number 2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H9NO5
InChI InChI=1S/C11H9NO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-6H,(H,12,13)(H,14,15)(H,16,17)/b6-5+
InChIKey KDCFOKATFSLHQS-AATRIKPKSA-N
Literature Reference Author J.TRUJILLO-FERRARA,R.SANTILLAN,H.I.BELTRAN,N.FARFAN,H.HOEPFL
Literature Reference Citation MAGN.RES.CHEM.,37,682(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199909)37:9<682::aid-mrc500>3.0.co;2-#
Molecular Weight 235.196 g/mol
Solvent DMSO-D6
Source File Reference UWGE5096