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4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[1-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)propyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR

4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[1-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)propyl]amino]-, methyl ester
SpectraBase Compound ID 8pUtyWFohxQ
InChI InChI=1S/C18H18N4O3S2/c1-25-17(24)15-11-5-4-6-12(11)27-16(15)19-14(23)8-10-26-18-21-20-13-7-2-3-9-22(13)18/h2-3,7,9H,4-6,8,10H2,1H3,(H,19,23)
InChIKey MHHFYIVNRIVYPQ-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C18H18N4O3S2
Exact Mass 402.082033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8FnWZU7v6Fn
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[1-oxo-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)propyl]amino]-, 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/C18H18N4O3S2/c1-25-17(24)15-11-5-4-6-12(11)27-16(15)19-14(23)8-10-26-18-21-20-13-7-2-3-9-22(13)18/h2-3,7,9H,4-6,8,10H2,1H3,(H,19,23)
InChIKey MHHFYIVNRIVYPQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_672
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/11228336