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4-OXO-2-PENTENOIC-ACID

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4-OXO-2-PENTENOIC-ACID
SpectraBase Compound ID GHX5k0ZNGrs
InChI InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2+
InChIKey XGTKSWVCNVUVHG-NSCUHMNNSA-N
Mol Weight 114.1 g/mol
Molecular Formula C5H6O3
Exact Mass 114.031694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5wKHFhEN2sf
Name 4-OXO-2-PENTENOIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H6O3
InChI InChI=1S/C5H6O3/c1-4(6)2-3-5(7)8/h2-3H,1H3,(H,7,8)/b3-2+
InChIKey XGTKSWVCNVUVHG-NSCUHMNNSA-N
Literature Reference Author R.M.LUEOEND,J.WALKER,R.W.NEIER
Literature Reference Citation J.ORG.CHEM.,57,5005(1992)
Literature Reference DOI 10.1021/jo00044a041
Molecular Weight 114.101 g/mol
Solvent CD3OD
Source File Reference UWCS1274