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ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID DNU9aKLa7Mq
InChI InChI=1S/C22H18ClNO5S/c1-3-27-22(26)19-18(13-4-7-15(23)8-5-13)12(2)30-21(19)24-20(25)14-6-9-16-17(10-14)29-11-28-16/h4-10H,3,11H2,1-2H3,(H,24,25)
InChIKey QSKASFWQXOSUET-UHFFFAOYSA-N
Mol Weight 443.9 g/mol
Molecular Formula C22H18ClNO5S
Exact Mass 443.059422 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2lryx0Eekc
Name ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate
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/C22H18ClNO5S/c1-3-27-22(26)19-18(13-4-7-15(23)8-5-13)12(2)30-21(19)24-20(25)14-6-9-16-17(10-14)29-11-28-16/h4-10H,3,11H2,1-2H3,(H,24,25)
InChIKey QSKASFWQXOSUET-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20491
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/9149428; Labnumber: U_AM_ACK/046014; UZI_ID: UZI-020499
Temperature 318 °C