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3-pyridinecarboxylic acid, 4-(5-bromo-2-fluorophenyl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-, 1-methylethyl ester
SpectraBase Compound ID E5nf4CNID5B
InChI InChI=1S/C16H17BrFNO3/c1-8(2)22-16(21)15-9(3)19-14(20)7-12(15)11-6-10(17)4-5-13(11)18/h4-6,8,12H,7H2,1-3H3,(H,19,20)
InChIKey NONAFVNLHBOZNK-UHFFFAOYSA-N
Mol Weight 370.22 g/mol
Molecular Formula C16H17BrFNO3
Exact Mass 369.037585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HiW9HzbkA4V
Name 3-pyridinecarboxylic acid, 4-(5-bromo-2-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 369.037584571 u
Formula C16H17BrFNO3
InChI InChI=1S/C16H17BrFNO3/c1-8(2)22-16(21)15-9(3)19-14(20)7-12(15)11-6-10(17)4-5-13(11)18/h4-6,8,12H,7H2,1-3H3,(H,19,20)
InChIKey NONAFVNLHBOZNK-UHFFFAOYSA-N
Molecular Weight 370.218 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6970
Solvent DMSO-d6
Source Vendor ID: NMR/9321536; Lab Info: SAS; Lab Number: SAS-tst3227
Temperature 23.85 °C