For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl-(E)-2-cyano-3-(5-iodo-4-methyl-3-octyl-2-pyrrolyl)-propenoate
SpectraBase Compound ID ISNppNPYCNx
InChI InChI=1S/C18H25IN2O2/c1-4-5-6-7-8-9-10-15-13(2)17(19)21-16(15)11-14(12-20)18(22)23-3/h11,21H,4-10H2,1-3H3/b14-11+
InChIKey UIMQKDJCCRCNFZ-SDNWHVSQSA-N
Mol Weight 428.31 g/mol
Molecular Formula C18H25IN2O2
Exact Mass 428.096073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FsJ1zKTRXAV
Name METHYL-(E)-2-CYANO-3-(5-IODO-4-METHYL-3-OCTYL-2-PYRROLYL)-PROPENOATE
CAS Registry Number 113998-92-8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25IN2O2
InChI InChI=1S/C18H25IN2O2/c1-4-5-6-7-8-9-10-15-13(2)17(19)21-16(15)11-14(12-20)18(22)23-3/h11,21H,4-10H2,1-3H3/b14-11+
InChIKey UIMQKDJCCRCNFZ-SDNWHVSQSA-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 428.313 g/mol
Solvent CDCl3
Source File Reference UNIW20840