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5-[(E)-2-Cyano-2-(methoxycarbonyl)-ethenyl]-3-methyl-4-octyl-2-pyrrole-carboxylic-acid

View entire compound with spectra: 1 NMR

5-[(E)-2-Cyano-2-(methoxycarbonyl)-ethenyl]-3-methyl-4-octyl-2-pyrrole-carboxylic-acid
SpectraBase Compound ID F475GOoIE2Y
InChI InChI=1S/C19H26N2O4/c1-4-5-6-7-8-9-10-15-13(2)17(18(22)23)21-16(15)11-14(12-20)19(24)25-3/h11,21H,4-10H2,1-3H3,(H,22,23)/b14-11+
InChIKey FQAQDENCBCBYRC-SDNWHVSQSA-N
Mol Weight 346.43 g/mol
Molecular Formula C19H26N2O4
Exact Mass 346.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3gxiOSDbZl
Name 5-[(E)-2-CYANO-2-(METHOXYCARBONYL)-ETHENYL]-3-METHYL-4-OCTYL-2-PYRROLE-CARBOXYLIC-ACID
CAS Registry Number 113998-91-7
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H26N2O4
InChI InChI=1S/C19H26N2O4/c1-4-5-6-7-8-9-10-15-13(2)17(18(22)23)21-16(15)11-14(12-20)19(24)25-3/h11,21H,4-10H2,1-3H3,(H,22,23)/b14-11+
InChIKey FQAQDENCBCBYRC-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 346.426 g/mol
Solvent CDCl3
Source File Reference UNIW20839