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Benzyl-5-[(E)-2-cyano-2-(methoxycarbonyl)-ethenyl]-3-methyl-4-octyl-2-pyrrole-carboxylate

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Benzyl-5-[(E)-2-cyano-2-(methoxycarbonyl)-ethenyl]-3-methyl-4-octyl-2-pyrrole-carboxylate
SpectraBase Compound ID 6VNDHRMkMI5
InChI InChI=1S/C26H32N2O4/c1-4-5-6-7-8-12-15-22-19(2)24(26(30)32-18-20-13-10-9-11-14-20)28-23(22)16-21(17-27)25(29)31-3/h9-11,13-14,16,28H,4-8,12,15,18H2,1-3H3/b21-16+
InChIKey JKUKKKOJCWJWBT-LTGZKZEYSA-N
Mol Weight 436.6 g/mol
Molecular Formula C26H32N2O4
Exact Mass 436.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 14boHGqJdg
Name BENZYL-5-[(E)-2-CYANO-2-(METHOXYCARBONYL)-ETHENYL]-3-METHYL-4-OCTYL-2-PYRROLE-CARBOXYLATE
CAS Registry Number 113998-90-6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N2O4
InChI InChI=1S/C26H32N2O4/c1-4-5-6-7-8-12-15-22-19(2)24(26(30)32-18-20-13-10-9-11-14-20)28-23(22)16-21(17-27)25(29)31-3/h9-11,13-14,16,28H,4-8,12,15,18H2,1-3H3/b21-16+
InChIKey JKUKKKOJCWJWBT-LTGZKZEYSA-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 436.551 g/mol
Solvent CDCl3
Source File Reference UNIW20837