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ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate
SpectraBase Compound ID 7IrgOhXYY7P
InChI InChI=1S/C18H18N4O5S/c1-3-27-18(24)15-10(2)21-17(28-9-14(20)23)13(8-19)16(15)11-5-4-6-12(7-11)22(25)26/h4-7,16,21H,3,9H2,1-2H3,(H2,20,23)
InChIKey JXRWEAOAYNRAJV-UHFFFAOYSA-N
Mol Weight 402.43 g/mol
Molecular Formula C18H18N4O5S
Exact Mass 402.099791 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dm9aVLdgKp
Name ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-4-(3-nitrophenyl)-1,4-dihydro-3-pyridinecarboxylate
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/C18H18N4O5S/c1-3-27-18(24)15-10(2)21-17(28-9-14(20)23)13(8-19)16(15)11-5-4-6-12(7-11)22(25)26/h4-7,16,21H,3,9H2,1-2H3,(H2,20,23)
InChIKey JXRWEAOAYNRAJV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11459
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: 801886; Labnumber: REA14-0329; VK_ID: VK-011464
Temperature 315 °C