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3-(4-acetyl-2-chloro-5-methyl-1H-pyrrol-3-yl)propionic acid
SpectraBase Compound ID 3C0YqjPd0Df
InChI InChI=1S/C10H12ClNO3/c1-5-9(6(2)13)7(10(11)12-5)3-4-8(14)15/h12H,3-4H2,1-2H3,(H,14,15)
InChIKey BMKWWFJRAOVCBV-UHFFFAOYSA-N
Mol Weight 229.66 g/mol
Molecular Formula C10H12ClNO3
Exact Mass 229.050571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6iYPVbUe5LK
Name 3-(4-acetyl-2-chloro-5-methyl-1H-pyrrol-3-yl)propionic acid
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12ClNO3
InChI InChI=1S/C10H12ClNO3/c1-5-9(6(2)13)7(10(11)12-5)3-4-8(14)15/h12H,3-4H2,1-2H3,(H,14,15)
InChIKey BMKWWFJRAOVCBV-UHFFFAOYSA-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 229.663 g/mol
Solvent CD3OD
Source File Reference UWCS1285