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4-(2-Fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

4-(2-Fluorophenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid phenethyl ester
SpectraBase Compound ID 7WpcYm5FFyt
InChI InChI=1S/C27H28FNO3/c1-17-23(26(31)32-14-13-18-9-5-4-6-10-18)24(19-11-7-8-12-20(19)28)25-21(29-17)15-27(2,3)16-22(25)30/h4-12,24,29H,13-16H2,1-3H3
InChIKey NOPGTQHGCKXWIJ-UHFFFAOYSA-N
Mol Weight 433.52 g/mol
Molecular Formula C27H28FNO3
Exact Mass 433.205322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B4FEe296cJ5
Name 3-quinolinecarboxylic acid, 4-(2-fluorophenyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-phenylethyl ester
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.205321926 u
Formula C27H28FNO3
InChI InChI=1S/C27H28FNO3/c1-17-23(26(31)32-14-13-18-9-5-4-6-10-18)24(19-11-7-8-12-20(19)28)25-21(29-17)15-27(2,3)16-22(25)30/h4-12,24,29H,13-16H2,1-3H3
InChIKey NOPGTQHGCKXWIJ-UHFFFAOYSA-N
Molecular Weight 433.523 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6010
Solvent DMSO-d6
Source Vendor ID: NMR/10211648; Lab Info: SAS; Lab Number: SAS-tst3329