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2-(1,3-benzodioxol-5-yl)-N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-4-quinolinecarboxamide

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2-(1,3-benzodioxol-5-yl)-N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-4-quinolinecarboxamide
SpectraBase Compound ID GdzmBmG8E6a
InChI InChI=1S/C33H27N3O3S/c1-4-19(2)21-9-11-22(12-10-21)31-20(3)40-33(26(31)17-34)36-32(37)25-16-28(35-27-8-6-5-7-24(25)27)23-13-14-29-30(15-23)39-18-38-29/h5-16,19H,4,18H2,1-3H3,(H,36,37)
InChIKey AFWGHXONEJMLQT-UHFFFAOYSA-N
Mol Weight 545.7 g/mol
Molecular Formula C33H27N3O3S
Exact Mass 545.177313 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7SRRVaGtl1P
Name 2-(1,3-benzodioxol-5-yl)-N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-4-quinolinecarboxamide
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/C33H27N3O3S/c1-4-19(2)21-9-11-22(12-10-21)31-20(3)40-33(26(31)17-34)36-32(37)25-16-28(35-27-8-6-5-7-24(25)27)23-13-14-29-30(15-23)39-18-38-29/h5-16,19H,4,18H2,1-3H3,(H,36,37)
InChIKey AFWGHXONEJMLQT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1791
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: UZI/9373637; Labnumber: AM-AC/0005153; UZI_ID: UZI-001793
Temperature 308 °C