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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, (tetrahydro-2-furanyl)methyl ester

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

3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, (tetrahydro-2-furanyl)methyl ester
SpectraBase Compound ID 5D4e58ZNJgT
InChI InChI=1S/C22H27NO4S/c1-13-18(21(25)27-12-14-6-4-8-26-14)20(17-7-5-9-28-17)19-15(23-13)10-22(2,3)11-16(19)24/h5,7,9,14,20,23H,4,6,8,10-12H2,1-3H3
InChIKey MCZUECQATIWKAX-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KwPvZwFfX4l
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, (tetrahydro-2-furanyl)methyl 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 401.166079523 u
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-13-18(21(25)27-12-14-6-4-8-26-14)20(17-7-5-9-28-17)19-15(23-13)10-22(2,3)11-16(19)24/h5,7,9,14,20,23H,4,6,8,10-12H2,1-3H3
InChIKey MCZUECQATIWKAX-UHFFFAOYSA-N
Molecular Weight 401.521 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6002
Solvent DMSO-d6
Source Vendor ID: NMR/10211632; Lab Info: SAS; Lab Number: SAS-tst3313