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2-[(5-cyano-2-keto-4-phenyl-3,4-dihydro-1H-pyridin-6-yl)thio]-N-(2,4-dimethylphenyl)acetamide
SpectraBase Compound ID JOTuplMa6tv
InChI InChI=1S/C22H21N3O2S/c1-14-8-9-19(15(2)10-14)24-21(27)13-28-22-18(12-23)17(11-20(26)25-22)16-6-4-3-5-7-16/h3-10,17H,11,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKey CAAWBKFTJLTGST-UHFFFAOYSA-N
Mol Weight 391.49 g/mol
Molecular Formula C22H21N3O2S
Exact Mass 391.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JD0bwlDoMxq
Name acetamide, 2-[(3-cyano-1,4,5,6-tetrahydro-6-oxo-4-phenyl-2-pyridinyl)thio]-N-(2,4-dimethylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.135448100 u
Formula C22H21N3O2S
InChI InChI=1S/C22H21N3O2S/c1-14-8-9-19(15(2)10-14)24-21(27)13-28-22-18(12-23)17(11-20(26)25-22)16-6-4-3-5-7-16/h3-10,17H,11,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKey CAAWBKFTJLTGST-UHFFFAOYSA-N
Molecular Weight 391.489 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6065
Solvent DMSO-d6
Source Vendor ID: NMR/10211950; Lab Info: KR; Lab Number: KR-KSG1G61
Temperature 23.85 °C