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acetamide, N-(4-bromophenyl)-2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methylphenyl)-6-oxo-2-pyridinyl]thio]-
SpectraBase Compound ID 6QN3TjEEAXL
InChI InChI=1S/C21H18BrN3O2S/c1-13-2-4-14(5-3-13)17-10-19(26)25-21(18(17)11-23)28-12-20(27)24-16-8-6-15(22)7-9-16/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey BPANLPHJNWGKTM-UHFFFAOYSA-N
Mol Weight 456.36 g/mol
Molecular Formula C21H18BrN3O2S
Exact Mass 455.030311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8vK7gQoydwh
Name acetamide, N-(4-bromophenyl)-2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methylphenyl)-6-oxo-2-pyridinyl]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 455.030311004 u
Formula C21H18BrN3O2S
InChI InChI=1S/C21H18BrN3O2S/c1-13-2-4-14(5-3-13)17-10-19(26)25-21(18(17)11-23)28-12-20(27)24-16-8-6-15(22)7-9-16/h2-9,17H,10,12H2,1H3,(H,24,27)(H,25,26)
InChIKey BPANLPHJNWGKTM-UHFFFAOYSA-N
Molecular Weight 456.358 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3045
Solvent DMSO-d6
Source Vendor ID: NMR/9258408; Lab Info: *0866208*; Lab Number: BAS 0866208
Temperature 23.85 °C