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3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-, 2-phenylethyl ester
SpectraBase Compound ID 61wazJY7POV
InChI InChI=1S/C21H20N2O5/c1-14-20(21(25)28-11-10-15-6-3-2-4-7-15)18(13-19(24)22-14)16-8-5-9-17(12-16)23(26)27/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)
InChIKey WYTPICAPFFEGOR-UHFFFAOYSA-N
Mol Weight 380.4 g/mol
Molecular Formula C21H20N2O5
Exact Mass 380.137222 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GsuzR4hUjbq
Name 3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-, 2-phenylethyl 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 380.137221747 u
Formula C21H20N2O5
InChI InChI=1S/C21H20N2O5/c1-14-20(21(25)28-11-10-15-6-3-2-4-7-15)18(13-19(24)22-14)16-8-5-9-17(12-16)23(26)27/h2-9,12,18H,10-11,13H2,1H3,(H,22,24)
InChIKey WYTPICAPFFEGOR-UHFFFAOYSA-N
Molecular Weight 380.400 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8104
Solvent DMSO-d6
Source Vendor ID: NMR/9301589; Lab Info: SAS; Lab Number: SAS-tst3047
Temperature 29.85 °C