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4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(3-pyridinylmethyl)amino]carbonyl]amino]-, methyl ester
SpectraBase Compound ID LI19cApmS8h
InChI InChI=1S/C16H17N3O3S/c1-22-15(20)13-11-5-2-6-12(11)23-14(13)19-16(21)18-9-10-4-3-7-17-8-10/h3-4,7-8H,2,5-6,9H2,1H3,(H2,18,19,21)
InChIKey CMQSUNDQCCAJPD-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C16H17N3O3S
Exact Mass 331.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J4nL2LF3ijF
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[[(3-pyridinylmethyl)amino]carbonyl]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/C16H17N3O3S/c1-22-15(20)13-11-5-2-6-12(11)23-14(13)19-16(21)18-9-10-4-3-7-17-8-10/h3-4,7-8H,2,5-6,9H2,1H3,(H2,18,19,21)
InChIKey CMQSUNDQCCAJPD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5535
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/17211184; Labnumber: ARJ-5627