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methyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID GLFigFMwPBi
InChI InChI=1S/C21H22F3NO3/c1-11-16(19(27)28-4)17(12-7-5-6-8-13(12)21(22,23)24)18-14(25-11)9-20(2,3)10-15(18)26/h5-8,17,25H,9-10H2,1-4H3
InChIKey HCSGOORIWPJLHV-UHFFFAOYSA-N
Mol Weight 393.41 g/mol
Molecular Formula C21H22F3NO3
Exact Mass 393.155178 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HzHEL6pMS4U
Name methyl 2,7,7-trimethyl-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22F3NO3/c1-11-16(19(27)28-4)17(12-7-5-6-8-13(12)21(22,23)24)18-14(25-11)9-20(2,3)10-15(18)26/h5-8,17,25H,9-10H2,1-4H3
InChIKey HCSGOORIWPJLHV-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34327
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 7100418; SBI_ID: SBI-034331
Temperature 297 °C