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3-thiophenecarboxylic acid, 2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-5-phenyl-, ethyl ester
SpectraBase Compound ID JUNJm1ZGUtO
InChI InChI=1S/C26H22N4O3S2/c1-3-33-25(32)19-14-21(17-9-5-4-6-10-17)35-24(19)27-23(31)15-34-26-29-28-22-13-16(2)18-11-7-8-12-20(18)30(22)26/h4-14H,3,15H2,1-2H3,(H,27,31)
InChIKey PIBFWDJYSKOPOA-UHFFFAOYSA-N
Mol Weight 502.61 g/mol
Molecular Formula C26H22N4O3S2
Exact Mass 502.113333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 586QsBtcRKG
Name 3-thiophenecarboxylic acid, 2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-5-phenyl-, 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/C26H22N4O3S2/c1-3-33-25(32)19-14-21(17-9-5-4-6-10-17)35-24(19)27-23(31)15-34-26-29-28-22-13-16(2)18-11-7-8-12-20(18)30(22)26/h4-14H,3,15H2,1-2H3,(H,27,31)
InChIKey PIBFWDJYSKOPOA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1006
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/11228724