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

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5-[(E)-2-Cyano-2-(methoxycarbonyl)-ethenyl]-3-methyl-4-octyl-2-pyrrole-carboxylic-acid
SpectraBase Compound ID EQNdmRnk3Un
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-KAMYIIQDSA-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 7hVmyWRnGtM
Name 5-[(E)-2-Cyano-2-(methoxycarbonyl)-ethenyl]-3-methyl-4-octyl-2-pyrrole-carboxylic-acid
CAS Registry Number 113998-91-7
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. 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-KAMYIIQDSA-N
Instrument Name SF = 400 MHz
Literature Reference J. Org. Chem. 53, 2787 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3