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Methyl-(E)-2-cyano-3-(4-methyl-3-octyl-2-pyrrolyl)-propenoate
SpectraBase Compound ID DztVS0vZFfx
InChI InChI=1S/C18H26N2O2/c1-4-5-6-7-8-9-10-16-14(2)13-20-17(16)11-15(12-19)18(21)22-3/h11,13,20H,4-10H2,1-3H3/b15-11+
InChIKey LCQNBLGKLISOID-RVDMUPIBSA-N
Mol Weight 302.42 g/mol
Molecular Formula C18H26N2O2
Exact Mass 302.199428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtjsOUNJ98W
Name METHYL-(E)-2-CYANO-3-(4-METHYL-3-OCTYL-2-PYRROLYL)-PROPENOATE
CAS Registry Number 113998-94-0
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26N2O2
InChI InChI=1S/C18H26N2O2/c1-4-5-6-7-8-9-10-16-14(2)13-20-17(16)11-15(12-19)18(21)22-3/h11,13,20H,4-10H2,1-3H3/b15-11+
InChIKey LCQNBLGKLISOID-RVDMUPIBSA-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 302.417 g/mol
Solvent CDCl3
Source File Reference UNIW20841