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3-thiophenecarboxylic acid, 4,5-dimethyl-2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 4,5-dimethyl-2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID 8HWpiZCuxsR
InChI InChI=1S/C22H22N4O3S2/c1-5-29-21(28)19-13(3)14(4)31-20(19)23-18(27)11-30-22-25-24-17-10-12(2)15-8-6-7-9-16(15)26(17)22/h6-10H,5,11H2,1-4H3,(H,23,27)
InChIKey OPCYKSGTUGJDRE-UHFFFAOYSA-N
Mol Weight 454.56 g/mol
Molecular Formula C22H22N4O3S2
Exact Mass 454.113333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IY71QV9EJaz
Name 3-thiophenecarboxylic acid, 4,5-dimethyl-2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester
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/C22H22N4O3S2/c1-5-29-21(28)19-13(3)14(4)31-20(19)23-18(27)11-30-22-25-24-17-10-12(2)15-8-6-7-9-16(15)26(17)22/h6-10H,5,11H2,1-4H3,(H,23,27)
InChIKey OPCYKSGTUGJDRE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_458
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: NMR/11228089