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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-(methylthio)-2-oxo-, methyl ester
SpectraBase Compound ID 4W54Dfyy0Ll
InChI InChI=1S/C15H13ClN2O3S/c1-21-15(20)12-11(8-3-5-9(16)6-4-8)10(7-17)14(22-2)18-13(12)19/h3-6,11-12H,1-2H3,(H,18,19)
InChIKey LBDRRAQRHHONDC-UHFFFAOYSA-N
Mol Weight 336.79 g/mol
Molecular Formula C15H13ClN2O3S
Exact Mass 336.033541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H6ulYQNRt8n
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-(methylthio)-2-oxo-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.033541158 u
Formula C15H13ClN2O3S
InChI InChI=1S/C15H13ClN2O3S/c1-21-15(20)12-11(8-3-5-9(16)6-4-8)10(7-17)14(22-2)18-13(12)19/h3-6,11-12H,1-2H3,(H,18,19)
InChIKey LBDRRAQRHHONDC-UHFFFAOYSA-N
Molecular Weight 336.793 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1943
Solvent DMSO-d6
Source Vendor ID: NMR/8325155; Lab Info: KR; Lab Number: KR-0002696
Temperature 29.85 °C