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2-Methyl-4-(1-tosyl-4-indolyl)-crotonic acid, ethyl ester

View entire compound with spectra: 1 NMR

2-Methyl-4-(1-tosyl-4-indolyl)-crotonic acid, ethyl ester
SpectraBase Compound ID GAIhNGssuhY
InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)17(3)10-11-18-6-5-7-21-20(18)14-15-23(21)28(25,26)19-12-8-16(2)9-13-19/h5-10,12-15H,4,11H2,1-3H3/b17-10+
InChIKey QMIZYBRXSXLAHW-LICLKQGHSA-N
Mol Weight 397.49 g/mol
Molecular Formula C22H23NO4S
Exact Mass 397.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ggpf6hciXr
Name 2-Methyl-4-(1-tosyl-4-indolyl)-crotonic acid, ethyl ester
CAS Registry Number 59304-82-4
Comments C-18 AND C-21 REASSIGNED
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C22H23NO4S
InChI InChI=1S/C22H23NO4S/c1-4-27-22(24)17(3)10-11-18-6-5-7-21-20(18)14-15-23(21)28(25,26)19-12-8-16(2)9-13-19/h5-10,12-15H,4,11H2,1-3H3/b17-10+
InChIKey QMIZYBRXSXLAHW-LICLKQGHSA-N
Instrument Name Bruker HX-90
Literature Reference H. Plieninger, E. Meyer, Liebigs Ann. Chem. 813 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3