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3-[5-[(Z)-(3-ethyl-4-methyl-5-thioxo-3-pyrrolin-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid methyl ester

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3-[5-[(Z)-(3-ethyl-4-methyl-5-thioxo-3-pyrrolin-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid methyl ester
SpectraBase Compound ID AB1526fpTHR
InChI InChI=1S/C18H24N2O2S/c1-6-13-11(3)18(23)20-16(13)9-15-10(2)14(12(4)19-15)7-8-17(21)22-5/h9,19H,6-8H2,1-5H3,(H,20,23)/b16-9-
InChIKey BFYIBZWSVHBOSS-SXGWCWSVSA-N
Mol Weight 332.46 g/mol
Molecular Formula C18H24N2O2S
Exact Mass 332.155849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JrbGiXNiMLW
Name 3-[5-[(Z)-(3-ethyl-4-methyl-5-thioxo-3-pyrrolin-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propionic acid methyl ester
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H24N2O2S
InChI InChI=1S/C18H24N2O2S/c1-6-13-11(3)18(23)20-16(13)9-15-10(2)14(12(4)19-15)7-8-17(21)22-5/h9,19H,6-8H2,1-5H3,(H,20,23)/b16-9-
InChIKey BFYIBZWSVHBOSS-SXGWCWSVSA-N
Literature Reference Author M.XIE,D.A.LIGHTNER
Literature Reference Citation J.HETCYCL.CHEM.,28,1753(1991)
Literature Reference DOI 10.1002/jhet.5570280718
Molecular Weight 332.461 g/mol
Solvent DMSO-D6
Source File Reference UWCP5108