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3-pyridinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, phenylmethyl ester

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3-pyridinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, phenylmethyl ester
SpectraBase Compound ID 4gSRoutmUTp
InChI InChI=1S/C20H17ClN2O5/c1-12-19(20(25)28-11-13-5-3-2-4-6-13)16(10-18(24)22-12)15-9-14(23(26)27)7-8-17(15)21/h2-9,16H,10-11H2,1H3,(H,22,24)
InChIKey QYFCJQGLHVNPTE-UHFFFAOYSA-N
Mol Weight 400.82 g/mol
Molecular Formula C20H17ClN2O5
Exact Mass 400.082599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DQKjZUD2ha
Name 3-pyridinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, phenylmethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H17ClN2O5/c1-12-19(20(25)28-11-13-5-3-2-4-6-13)16(10-18(24)22-12)15-9-14(23(26)27)7-8-17(15)21/h2-9,16H,10-11H2,1H3,(H,22,24)
InChIKey QYFCJQGLHVNPTE-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_1239
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/8315109; Labnumber: SAS-tst0220
Temperature 303 °C