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Methyl-(E)-2-cyano-3-(3-ethyl-5-iodo-4-methyl-2-pyrrolyl)-propenoate
SpectraBase Compound ID B6r7fb9BTHa
InChI InChI=1S/C12H13IN2O2/c1-4-9-7(2)11(13)15-10(9)5-8(6-14)12(16)17-3/h5,15H,4H2,1-3H3/b8-5+
InChIKey BTSDYSGADCYDKC-VMPITWQZSA-N
Mol Weight 344.15 g/mol
Molecular Formula C12H13IN2O2
Exact Mass 344.002173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBsq5zyQ436
Name METHYL-(Z)-2-CYANO-3-(3-ETHYL-5-IODO-4-METHYL-2-PYRROLYL)-PROPENOATE
CAS Registry Number 113998-81-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13IN2O2
InChI InChI=1S/C12H13IN2O2/c1-4-9-7(2)11(13)15-10(9)5-8(6-14)12(16)17-3/h5,15H,4H2,1-3H3/b8-5+
InChIKey BTSDYSGADCYDKC-VMPITWQZSA-N
Literature Reference Author J.B.PAINE,D.DOLPHIN
Literature Reference Citation J.ORG.CHEM.,53,2787(1988)
Literature Reference DOI 10.1021/jo00247a024
Molecular Weight 344.152 g/mol
Solvent CDCl3
Source File Reference UNIW20831