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3-pyridinecarbonitrile, 2-[[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-
SpectraBase Compound ID 82Egd269e3P
InChI InChI=1S/C27H15ClF3N3OS2/c28-17-10-11-24-22(12-17)34(21-8-4-5-9-23(21)37-24)25(35)15-36-26-18(14-32)19(27(29,30)31)13-20(33-26)16-6-2-1-3-7-16/h1-13H,15H2
InChIKey FENRLBLCEYSOKO-UHFFFAOYSA-N
Mol Weight 554.01 g/mol
Molecular Formula C27H15ClF3N3OS2
Exact Mass 553.029717 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JniYIyYlYJR
Name 3-pyridinecarbonitrile, 2-[[2-(2-chloro-10H-phenothiazin-10-yl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 553.029716651 u
Formula C27H15ClF3N3OS2
InChI InChI=1S/C27H15ClF3N3OS2/c28-17-10-11-24-22(12-17)34(21-8-4-5-9-23(21)37-24)25(35)15-36-26-18(14-32)19(27(29,30)31)13-20(33-26)16-6-2-1-3-7-16/h1-13H,15H2
InChIKey FENRLBLCEYSOKO-UHFFFAOYSA-N
Molecular Weight 554.005 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15426
Solvent DMSO-d6
Source Vendor ID: NMR/11220295; Lab Info: NKS; Lab Number: NKS-0102012