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5-{[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino}-5-oxopentanoic acid
SpectraBase Compound ID FsAGs9z3ecy
InChI InChI=1S/C18H18N2O4S/c1-11-17(12-6-8-13(24-2)9-7-12)14(10-19)18(25-11)20-15(21)4-3-5-16(22)23/h6-9H,3-5H2,1-2H3,(H,20,21)(H,22,23)
InChIKey XZOZFEDGZPUYRK-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C18H18N2O4S
Exact Mass 358.098728 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G3ZJpwN3clh
Name 5-{[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]amino}-5-oxopentanoic acid
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/C18H18N2O4S/c1-11-17(12-6-8-13(24-2)9-7-12)14(10-19)18(25-11)20-15(21)4-3-5-16(22)23/h6-9H,3-5H2,1-2H3,(H,20,21)(H,22,23)
InChIKey XZOZFEDGZPUYRK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15737
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: UZI/1004095; Labnumber: NSB-0099937; UZI_ID: UZI-015741
Temperature 308 °C