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3-pyridinecarboxamide, 5-cyano-6-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-
SpectraBase Compound ID 3MiqokPQpGZ
InChI InChI=1S/C27H22FN3O4S/c1-16-24(26(33)31-20-6-3-4-7-22(20)34-2)25(23-8-5-13-35-23)19(14-29)27(30-16)36-15-21(32)17-9-11-18(28)12-10-17/h3-13,25,30H,15H2,1-2H3,(H,31,33)
InChIKey CAUJHPWYJDWDBJ-UHFFFAOYSA-N
Mol Weight 503.55 g/mol
Molecular Formula C27H22FN3O4S
Exact Mass 503.131506 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GtyWut31wJl
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 503.131505533 u
Formula C27H22FN3O4S
InChI InChI=1S/C27H22FN3O4S/c1-16-24(26(33)31-20-6-3-4-7-22(20)34-2)25(23-8-5-13-35-23)19(14-29)27(30-16)36-15-21(32)17-9-11-18(28)12-10-17/h3-13,25,30H,15H2,1-2H3,(H,31,33)
InChIKey CAUJHPWYJDWDBJ-UHFFFAOYSA-N
Molecular Weight 503.548 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10560
Solvent DMSO-d6
Source Vendor ID: NMR/10251854; Lab Info: KR; Lab Number: KR-KV00240