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2-Cyano-2-(1-ethoxycarbonyl-indol-3-yl)-acetic acid, ethyl ester

View entire compound with spectra: 1 NMR

2-Cyano-2-(1-ethoxycarbonyl-indol-3-yl)-acetic acid, ethyl ester
SpectraBase Compound ID GXc4i42RCGW
InChI InChI=1S/C16H16N2O4/c1-3-21-15(19)12(9-17)13-10-18(16(20)22-4-2)14-8-6-5-7-11(13)14/h5-8,10,12H,3-4H2,1-2H3
InChIKey CCZMDXSEJTUNCP-UHFFFAOYSA-N
Mol Weight 300.31 g/mol
Molecular Formula C16H16N2O4
Exact Mass 300.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQO22isni8s
Name 2-Cyano-2-(1-ethoxycarbonyl-indol-3-yl)-acetic acid, ethyl ester
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16N2O4
InChI InChI=1S/C16H16N2O4/c1-3-21-15(19)12(9-17)13-10-18(16(20)22-4-2)14-8-6-5-7-11(13)14/h5-8,10,12H,3-4H2,1-2H3
InChIKey CCZMDXSEJTUNCP-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.S. Morales-Rios, P. Joseph-Nathan, Magn. Res. Chem. 25, 911 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3