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(2E)-3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(2-thienylmethyl)-2-propenamide
SpectraBase Compound ID BrsYpRYJgmS
InChI InChI=1S/C26H22ClN3O2S/c1-18-13-21(8-9-24(18)27)32-11-10-30-17-20(23-6-2-3-7-25(23)30)14-19(15-28)26(31)29-16-22-5-4-12-33-22/h2-9,12-14,17H,10-11,16H2,1H3,(H,29,31)/b19-14+
InChIKey PZBNYKPXBQQYAV-XMHGGMMESA-N
Mol Weight 475.99 g/mol
Molecular Formula C26H22ClN3O2S
Exact Mass 475.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID z8LG6IlYXw
Name (2E)-3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(2-thienylmethyl)-2-propenamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H22ClN3O2S/c1-18-13-21(8-9-24(18)27)32-11-10-30-17-20(23-6-2-3-7-25(23)30)14-19(15-28)26(31)29-16-22-5-4-12-33-22/h2-9,12-14,17H,10-11,16H2,1H3,(H,29,31)/b19-14+
InChIKey PZBNYKPXBQQYAV-XMHGGMMESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2025
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9311078; UBI_ID: UBI-002026
Synonyms 3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-indol-3-yl}-2-cyano-N-(2-thienylmethyl)-2-propenamide
Temperature 308 °C