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acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methylphenyl)-6-oxo-2-pyridinyl]thio]-N-(3-methylphenyl)-
SpectraBase Compound ID klBstvXpGg
InChI InChI=1S/C22H21N3O2S/c1-14-6-8-16(9-7-14)18-11-20(26)25-22(19(18)12-23)28-13-21(27)24-17-5-3-4-15(2)10-17/h3-10,18H,11,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKey NGRHYXBEGMKJBF-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 k6qukOW0bF
Name acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-methylphenyl)-6-oxo-2-pyridinyl]thio]-N-(3-methylphenyl)-
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/c1-14-6-8-16(9-7-14)18-11-20(26)25-22(19(18)12-23)28-13-21(27)24-17-5-3-4-15(2)10-17/h3-10,18H,11,13H2,1-2H3,(H,24,27)(H,25,26)
InChIKey NGRHYXBEGMKJBF-UHFFFAOYSA-N
Molecular Weight 391.489 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10506
Solvent DMSO-d6
Source Vendor ID: NMR/10251751; Lab Info: KR; Lab Number: KR-KK00004