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3-pyridinecarboxylic acid, 4-(3-chlorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 2-methoxyethyl ester
SpectraBase Compound ID Agn8bPNB66Q
InChI InChI=1S/C16H18ClNO4/c1-10-15(16(20)22-7-6-21-2)13(9-14(19)18-10)11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9H2,1-2H3,(H,18,19)
InChIKey SXUAGYGCCQZZBF-UHFFFAOYSA-N
Mol Weight 323.78 g/mol
Molecular Formula C16H18ClNO4
Exact Mass 323.092436 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E6bgkfbFkOM
Name 3-pyridinecarboxylic acid, 4-(3-chlorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 2-methoxyethyl 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 323.092435760 u
Formula C16H18ClNO4
InChI InChI=1S/C16H18ClNO4/c1-10-15(16(20)22-7-6-21-2)13(9-14(19)18-10)11-4-3-5-12(17)8-11/h3-5,8,13H,6-7,9H2,1-2H3,(H,18,19)
InChIKey SXUAGYGCCQZZBF-UHFFFAOYSA-N
Molecular Weight 323.776 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8089
Solvent DMSO-d6
Source Vendor ID: NMR/9291184; Lab Info: SAS; Lab Number: SAS-tst2922
Temperature 29.85 °C