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isopropyl 4-{[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl}-3-oxobutanoate
SpectraBase Compound ID ApkC2DiPQ1S
InChI InChI=1S/C25H21FN2O3S/c1-16(2)31-24(30)12-20(29)15-32-25-22(14-27)21(17-6-4-3-5-7-17)13-23(28-25)18-8-10-19(26)11-9-18/h3-11,13,16H,12,15H2,1-2H3
InChIKey OMTAFPSNTKZADS-UHFFFAOYSA-N
Mol Weight 448.51 g/mol
Molecular Formula C25H21FN2O3S
Exact Mass 448.125692 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8ZRF6kpyBVE
Name isopropyl 4-{[3-cyano-6-(4-fluorophenyl)-4-phenyl-2-pyridinyl]sulfanyl}-3-oxobutanoate
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/C25H21FN2O3S/c1-16(2)31-24(30)12-20(29)15-32-25-22(14-27)21(17-6-4-3-5-7-17)13-23(28-25)18-8-10-19(26)11-9-18/h3-11,13,16H,12,15H2,1-2H3
InChIKey OMTAFPSNTKZADS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10683
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/8072460; Labnumber: Li-0542; UZI_ID: UZI-010685
Temperature 318 °C