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acetamide, 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-phenyl-2-thiazolyl)-
SpectraBase Compound ID D4c2AP9SRQ5
InChI InChI=1S/C22H13F3N4OS3/c23-22(24,25)15-9-16(18-7-4-8-31-18)27-20(14(15)10-26)32-12-19(30)29-21-28-17(11-33-21)13-5-2-1-3-6-13/h1-9,11H,12H2,(H,28,29,30)
InChIKey CASVHZCXTGQGFC-UHFFFAOYSA-N
Mol Weight 502.55 g/mol
Molecular Formula C22H13F3N4OS3
Exact Mass 502.020359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BisjboMOjXw
Name acetamide, 2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-phenyl-2-thiazolyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.020359065 u
Formula C22H13F3N4OS3
InChI InChI=1S/C22H13F3N4OS3/c23-22(24,25)15-9-16(18-7-4-8-31-18)27-20(14(15)10-26)32-12-19(30)29-21-28-17(11-33-21)13-5-2-1-3-6-13/h1-9,11H,12H2,(H,28,29,30)
InChIKey CASVHZCXTGQGFC-UHFFFAOYSA-N
Molecular Weight 502.548 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4691
Solvent DMSO-d6
Source Vendor ID: ZI/9065490; Lab Info: NKS; Lab Number: NKS-8200073