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

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3-thiophenecarboxylic acid, 5-bromo-2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-4-phenyl-, methyl ester
SpectraBase Compound ID E42W3lqxvzs
InChI InChI=1S/C25H19BrN4O3S2/c1-14-12-18-28-29-25(30(18)17-11-7-6-10-16(14)17)34-13-19(31)27-23-21(24(32)33-2)20(22(26)35-23)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,27,31)
InChIKey UGLQRKYCUQUTGJ-UHFFFAOYSA-N
Mol Weight 567.48 g/mol
Molecular Formula C25H19BrN4O3S2
Exact Mass 566.008196 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H7xwM4OQAJm
Name 3-thiophenecarboxylic acid, 5-bromo-2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-4-phenyl-, methyl 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/C25H19BrN4O3S2/c1-14-12-18-28-29-25(30(18)17-11-7-6-10-16(14)17)34-13-19(31)27-23-21(24(32)33-2)20(22(26)35-23)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,27,31)
InChIKey UGLQRKYCUQUTGJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1027
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/11228751