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3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-2-oxo-, methyl ester

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3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID IK3oPSpCzS4
InChI InChI=1S/C17H17N3O4S/c1-9-5-3-4-6-10(9)13-11(7-18)16(25-8-12(19)21)20-15(22)14(13)17(23)24-2/h3-6,13-14H,8H2,1-2H3,(H2,19,21)(H,20,22)
InChIKey PIKRWIFIYZWFTC-UHFFFAOYSA-N
Mol Weight 359.4 g/mol
Molecular Formula C17H17N3O4S
Exact Mass 359.093977 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID xI4U3JJh8u
Name 3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methylphenyl)-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 359.093977209 u
Formula C17H17N3O4S
InChI InChI=1S/C17H17N3O4S/c1-9-5-3-4-6-10(9)13-11(7-18)16(25-8-12(19)21)20-15(22)14(13)17(23)24-2/h3-6,13-14H,8H2,1-2H3,(H2,19,21)(H,20,22)
InChIKey PIKRWIFIYZWFTC-UHFFFAOYSA-N
Molecular Weight 359.400 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1524
Solvent DMSO-d6
Source Vendor ID: ZI/8155762; Lab Info: KR; Lab Number: KR-ug00351
Temperature 29.85 °C