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3-pyridinecarboxylic acid, 4-(2-chloro-6-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 1-methylethyl ester
SpectraBase Compound ID 7QK5DnSFXT1
InChI InChI=1S/C16H17ClFNO3/c1-8(2)22-16(21)14-9(3)19-13(20)7-10(14)15-11(17)5-4-6-12(15)18/h4-6,8,10H,7H2,1-3H3,(H,19,20)
InChIKey WXNRFVHGBCKMLO-UHFFFAOYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C16H17ClFNO3
Exact Mass 325.088099 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L8fiDj3djnG
Name 3-pyridinecarboxylic acid, 4-(2-chloro-6-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 1-methylethyl 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 325.088099271 u
Formula C16H17ClFNO3
InChI InChI=1S/C16H17ClFNO3/c1-8(2)22-16(21)14-9(3)19-13(20)7-10(14)15-11(17)5-4-6-12(15)18/h4-6,8,10H,7H2,1-3H3,(H,19,20)
InChIKey WXNRFVHGBCKMLO-UHFFFAOYSA-N
Molecular Weight 325.767 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7980
Solvent DMSO-d6
Source Vendor ID: NMR/9223104; Lab Info: SAS; Lab Number: SAS-TST0646
Temperature 29.85 °C