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3-CARBOXYMETHYLSULFONYL-1-ETHYL-2-METHYLPYRROLE
SpectraBase Compound ID IrTREwfXAlr
InChI InChI=1S/C9H13NO4S/c1-3-10-5-4-8(7(10)2)15(13,14)6-9(11)12/h4-5H,3,6H2,1-2H3,(H,11,12)
InChIKey LCACFWVURKEQLR-UHFFFAOYSA-N
Mol Weight 231.27 g/mol
Molecular Formula C9H13NO4S
Exact Mass 231.056529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gwGndv3LcX
Name 3-CARBOXYMETHYLSULFONYL-1-ETHYL-2-METHYLPYRROLE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13NO4S
InChI InChI=1S/C9H13NO4S/c1-3-10-5-4-8(7(10)2)15(13,14)6-9(11)12/h4-5H,3,6H2,1-2H3,(H,11,12)
InChIKey LCACFWVURKEQLR-UHFFFAOYSA-N
Literature Reference Author C.MORANTA,A.M.MOLINS-PUJOL,M.D.PUJOL,J.BONAL
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3285(1998)
Literature Reference DOI 10.1039/a803239d
Molecular Weight 231.267 g/mol
Solvent CDCl3
Source File Reference UWMZ3455