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benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate

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benzyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
SpectraBase Compound ID 5aVJbesLkr8
InChI InChI=1S/C21H18ClNO5/c1-12-20(21(25)26-10-13-5-3-2-4-6-13)15(8-19(24)23-12)14-7-17-18(9-16(14)22)28-11-27-17/h2-7,9,15H,8,10-11H2,1H3,(H,23,24)
InChIKey OZGBPIIERWKKCA-UHFFFAOYSA-N
Mol Weight 399.83 g/mol
Molecular Formula C21H18ClNO5
Exact Mass 399.08735 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DSakvMointr
Name 3-pyridinecarboxylic acid, 4-(6-chloro-1,3-benzodioxol-5-yl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, phenylmethyl 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 399.087350379 u
Formula C21H18ClNO5
InChI InChI=1S/C21H18ClNO5/c1-12-20(21(25)26-10-13-5-3-2-4-6-13)15(8-19(24)23-12)14-7-17-18(9-16(14)22)28-11-27-17/h2-7,9,15H,8,10-11H2,1H3,(H,23,24)
InChIKey OZGBPIIERWKKCA-UHFFFAOYSA-N
Molecular Weight 399.830 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7982
Solvent DMSO-d6
Source Vendor ID: NMR/9223107; Lab Info: SAS; Lab Number: SAS-TST0649
Temperature 29.85 °C