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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-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

4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[[[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID KHP1utJFV6U
InChI InChI=1S/C25H26N4O3S2/c1-3-32-24(31)22-17-10-5-4-6-12-19(17)34-23(22)26-21(30)14-33-25-28-27-20-13-15(2)16-9-7-8-11-18(16)29(20)25/h7-9,11,13H,3-6,10,12,14H2,1-2H3,(H,26,30)
InChIKey VDSACPFREVUMDI-UHFFFAOYSA-N
Mol Weight 494.63 g/mol
Molecular Formula C25H26N4O3S2
Exact Mass 494.144633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GOQhOdDRVzU
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-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/C25H26N4O3S2/c1-3-32-24(31)22-17-10-5-4-6-12-19(17)34-23(22)26-21(30)14-33-25-28-27-20-13-15(2)16-9-7-8-11-18(16)29(20)25/h7-9,11,13H,3-6,10,12,14H2,1-2H3,(H,26,30)
InChIKey VDSACPFREVUMDI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_872
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/11228567