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3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-, 3-phenylpropyl ester
SpectraBase Compound ID 9KHGW1GTFqT
InChI InChI=1S/C22H22N2O5/c1-15-21(22(26)29-12-6-9-16-7-3-2-4-8-16)19(14-20(25)23-15)17-10-5-11-18(13-17)24(27)28/h2-5,7-8,10-11,13,19H,6,9,12,14H2,1H3,(H,23,25)
InChIKey UHTBERSCUHNNPQ-UHFFFAOYSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I5sVXjdmiRX
Name 3-pyridinecarboxylic acid, 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-, 3-phenylpropyl 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 394.152871811 u
Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-15-21(22(26)29-12-6-9-16-7-3-2-4-8-16)19(14-20(25)23-15)17-10-5-11-18(13-17)24(27)28/h2-5,7-8,10-11,13,19H,6,9,12,14H2,1H3,(H,23,25)
InChIKey UHTBERSCUHNNPQ-UHFFFAOYSA-N
Molecular Weight 394.427 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9383
Solvent DMSO-d6
Source Vendor ID: NMR/10240544; Lab Info: SAS; Lab Number: SAS-tst3732
Temperature 23.85 °C