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methyl 2-[({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
SpectraBase Compound ID 3uRjeMFQg6
InChI InChI=1S/C18H16F3N3O3S2/c1-8-5-12(18(19,20)21)23-15(11(8)6-22)28-7-13(25)24-16-14(17(26)27-4)9(2)10(3)29-16/h5H,7H2,1-4H3,(H,24,25)
InChIKey GDLRJCIXATYELP-UHFFFAOYSA-N
Mol Weight 443.46 g/mol
Molecular Formula C18H16F3N3O3S2
Exact Mass 443.058518 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LEZFiyfaHZX
Name methyl 2-[({[3-cyano-4-methyl-6-(trifluoromethyl)-2-pyridinyl]sulfanyl}acetyl)amino]-4,5-dimethyl-3-thiophenecarboxylate
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/C18H16F3N3O3S2/c1-8-5-12(18(19,20)21)23-15(11(8)6-22)28-7-13(25)24-16-14(17(26)27-4)9(2)10(3)29-16/h5H,7H2,1-4H3,(H,24,25)
InChIKey GDLRJCIXATYELP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18109
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/9100389; UBI_ID: UBI-018112
Temperature 318 °C