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4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[1,2-dioxo-2-[(4-pyridinylmethyl)amino]ethyl]amino]-5,6-dihydro-, methyl ester

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4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[1,2-dioxo-2-[(4-pyridinylmethyl)amino]ethyl]amino]-5,6-dihydro-, methyl ester
SpectraBase Compound ID 1fcHTMayYPU
InChI InChI=1S/C17H17N3O4S/c1-24-17(23)13-11-3-2-4-12(11)25-16(13)20-15(22)14(21)19-9-10-5-7-18-8-6-10/h5-8H,2-4,9H2,1H3,(H,19,21)(H,20,22)
InChIKey ICANMGIKEWJSFJ-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C17H17N3O4S
Exact Mass 359.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LRS12Ez3pFq
Name 4H-cyclopenta[b]thiophene-3-carboxylic acid, 2-[[1,2-dioxo-2-[(4-pyridinylmethyl)amino]ethyl]amino]-5,6-dihydro-, 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/C17H17N3O4S/c1-24-17(23)13-11-3-2-4-12(11)25-16(13)20-15(22)14(21)19-9-10-5-7-18-8-6-10/h5-8H,2-4,9H2,1H3,(H,19,21)(H,20,22)
InChIKey ICANMGIKEWJSFJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5539
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/17211188; Labnumber: ARJ-5641