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

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-2-oxo-, methyl ester
SpectraBase Compound ID bmojyxmrGs
InChI InChI=1S/C17H17N3O5S/c1-24-11-6-4-3-5-9(11)13-10(7-18)16(26-8-12(19)21)20-15(22)14(13)17(23)25-2/h3-6,13-14H,8H2,1-2H3,(H2,19,21)(H,20,22)
InChIKey CZXSSZSUXAZXNW-UHFFFAOYSA-N
Mol Weight 375.4 g/mol
Molecular Formula C17H17N3O5S
Exact Mass 375.088892 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BkQveKr8Sb7
Name 3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-1,2,3,4-tetrahydro-4-(2-methoxyphenyl)-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 375.088891828 u
Formula C17H17N3O5S
InChI InChI=1S/C17H17N3O5S/c1-24-11-6-4-3-5-9(11)13-10(7-18)16(26-8-12(19)21)20-15(22)14(13)17(23)25-2/h3-6,13-14H,8H2,1-2H3,(H2,19,21)(H,20,22)
InChIKey CZXSSZSUXAZXNW-UHFFFAOYSA-N
Molecular Weight 375.399 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1526
Solvent DMSO-d6
Source Vendor ID: ZI/8158160; Lab Info: KR; Lab Number: KR-ug00364
Temperature 29.85 °C