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methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate

View entire compound with spectra: 1 NMR

methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
SpectraBase Compound ID GtvGIc2PkRK
InChI InChI=1S/C21H26N2O3S/c1-4-5-6-9-12-27-20-16(13-22)17(15-11-8-7-10-14(15)2)18(19(24)23-20)21(25)26-3/h7-8,10-11,17-18H,4-6,9,12H2,1-3H3,(H,23,24)
InChIKey RNTXTVRKFATPHU-UHFFFAOYSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BrH7EdWsEp2
Name methyl 5-cyano-6-(hexylsulfanyl)-4-(2-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-3-pyridinecarboxylate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.166413876 u
Formula C21H26N2O3S
InChI InChI=1S/C21H26N2O3S/c1-4-5-6-9-12-27-20-16(13-22)17(15-11-8-7-10-14(15)2)18(19(24)23-20)21(25)26-3/h7-8,10-11,17-18H,4-6,9,12H2,1-3H3,(H,23,24)
InChIKey RNTXTVRKFATPHU-UHFFFAOYSA-N
Molecular Weight 386.510 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1727
Solvent DMSO-d6
Source Vendor ID: NMR/12278313