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N-[3-(2-cyanoethyl)phenyl]-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide
SpectraBase Compound ID J32UAs1oBaA
InChI InChI=1S/C22H17F3N4OS/c23-22(24,25)19-13-18(16-8-2-1-3-9-16)28-21(29-19)31-14-20(30)27-17-10-4-6-15(12-17)7-5-11-26/h1-4,6,8-10,12-13H,5,7,14H2,(H,27,30)
InChIKey RFGFBZUTKMKETD-UHFFFAOYSA-N
Mol Weight 442.46 g/mol
Molecular Formula C22H17F3N4OS
Exact Mass 442.107517 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6uzEPt65rBX
Name N-[3-(2-cyanoethyl)phenyl]-2-{[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide
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/C22H17F3N4OS/c23-22(24,25)19-13-18(16-8-2-1-3-9-16)28-21(29-19)31-14-20(30)27-17-10-4-6-15(12-17)7-5-11-26/h1-4,6,8-10,12-13H,5,7,14H2,(H,27,30)
InChIKey RFGFBZUTKMKETD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8552
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/1009303; UBI_ID: UBI-008555
Temperature 308 °C