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ethyl 2-amino-5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}nicotinate
SpectraBase Compound ID KbhLrT1xhEZ
InChI InChI=1S/C18H17N3O4S/c1-3-25-18(23)14-8-12(9-19)17(21-16(14)20)26-10-15(22)11-4-6-13(24-2)7-5-11/h4-8H,3,10H2,1-2H3,(H2,20,21)
InChIKey JZAFIFZHTWHTTH-UHFFFAOYSA-N
Mol Weight 371.41 g/mol
Molecular Formula C18H17N3O4S
Exact Mass 371.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5Jp5Usrv6Ut
Name ethyl 2-amino-5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}nicotinate
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/C18H17N3O4S/c1-3-25-18(23)14-8-12(9-19)17(21-16(14)20)26-10-15(22)11-4-6-13(24-2)7-5-11/h4-8H,3,10H2,1-2H3,(H2,20,21)
InChIKey JZAFIFZHTWHTTH-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14266
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/1012657; UBI_ID: UBI-014269
Temperature 313 °C