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4-quinolinecarbonitrile, 2-[[4-chloro-3,5-bis(1,1-dimethylethyl)phenyl]thio]-
SpectraBase Compound ID KXXD10H2Y0E
InChI InChI=1S/C24H25ClN2S/c1-23(2,3)18-12-16(13-19(22(18)25)24(4,5)6)28-21-11-15(14-26)17-9-7-8-10-20(17)27-21/h7-13H,1-6H3
InChIKey YGBSFGLZNUCBAQ-UHFFFAOYSA-N
Mol Weight 408.99 g/mol
Molecular Formula C24H25ClN2S
Exact Mass 408.142698 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3W0QgYmsYjO
Name 4-quinolinecarbonitrile, 2-[[4-chloro-3,5-bis(1,1-dimethylethyl)phenyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.142697687 u
Formula C24H25ClN2S
InChI InChI=1S/C24H25ClN2S/c1-23(2,3)18-12-16(13-19(22(18)25)24(4,5)6)28-21-11-15(14-26)17-9-7-8-10-20(17)27-21/h7-13H,1-6H3
InChIKey YGBSFGLZNUCBAQ-UHFFFAOYSA-N
Molecular Weight 408.991 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11792
Solvent DMSO-d6
Source Vendor ID: NMR/10241813; Lab Info: AI; Lab Number: AI-1299004