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4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester

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4-(3,4-difluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propyl ester
SpectraBase Compound ID ATKKmb4bQYS
InChI InChI=1S/C22H25F2NO3/c1-5-8-28-21(27)18-12(2)25-16-10-22(3,4)11-17(26)20(16)19(18)13-6-7-14(23)15(24)9-13/h6-7,9,19,25H,5,8,10-11H2,1-4H3
InChIKey HJEMXWGGIUQZOP-UHFFFAOYSA-N
Mol Weight 389.44 g/mol
Molecular Formula C22H25F2NO3
Exact Mass 389.18025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KWEJGiUm43Q
Name 3-quinolinecarboxylic acid, 4-(3,4-difluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, propyl 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 389.180249992 u
Formula C22H25F2NO3
InChI InChI=1S/C22H25F2NO3/c1-5-8-28-21(27)18-12(2)25-16-10-22(3,4)11-17(26)20(16)19(18)13-6-7-14(23)15(24)9-13/h6-7,9,19,25H,5,8,10-11H2,1-4H3
InChIKey HJEMXWGGIUQZOP-UHFFFAOYSA-N
Molecular Weight 389.443 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11295
Solvent DMSO-d6
Source Vendor ID: NMR/10252218; Lab Info: SAS; Lab Number: SAS-tst3829