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4-{[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic acid
SpectraBase Compound ID Jyt40ITcknl
InChI InChI=1S/C18H19NO5S/c1-10-4-5-11(2)12(8-10)13-9-25-17(16(13)18(23)24-3)19-14(20)6-7-15(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKey KPHAHBCNTZWQLE-UHFFFAOYSA-N
Mol Weight 361.41 g/mol
Molecular Formula C18H19NO5S
Exact Mass 361.098394 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 41Dh3w5gJjv
Name 4-{[4-(2,5-dimethylphenyl)-3-(methoxycarbonyl)-2-thienyl]amino}-4-oxobutanoic 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/C18H19NO5S/c1-10-4-5-11(2)12(8-10)13-9-25-17(16(13)18(23)24-3)19-14(20)6-7-15(21)22/h4-5,8-9H,6-7H2,1-3H3,(H,19,20)(H,21,22)
InChIKey KPHAHBCNTZWQLE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15092
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/9123894; Labnumber: NSB-0095667; UZI_ID: UZI-015096
Temperature 308 °C