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N-[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-chloronicotinamide
SpectraBase Compound ID 4frBz1j1PWe
InChI InChI=1S/C22H22ClN3O2S/c1-12-16(13-7-9-14(10-8-13)22(2,3)4)17(19(24)27)21(29-12)26-20(28)15-6-5-11-25-18(15)23/h5-11H,1-4H3,(H2,24,27)(H,26,28)
InChIKey RYINWCXEZUWSMQ-UHFFFAOYSA-N
Mol Weight 427.95 g/mol
Molecular Formula C22H22ClN3O2S
Exact Mass 427.112126 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ByNpUkrHrA
Name N-[3-(aminocarbonyl)-4-(4-tert-butylphenyl)-5-methyl-2-thienyl]-2-chloronicotinamide
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/C22H22ClN3O2S/c1-12-16(13-7-9-14(10-8-13)22(2,3)4)17(19(24)27)21(29-12)26-20(28)15-6-5-11-25-18(15)23/h5-11H,1-4H3,(H2,24,27)(H,26,28)
InChIKey RYINWCXEZUWSMQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19562
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/9144990; UBI_ID: UBI-019566
Temperature 318 °C