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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-, cyclohexyl ester
SpectraBase Compound ID I8oYHJPO4Ao
InChI InChI=1S/C23H29NO3S/c1-14-19(22(26)27-16-7-5-4-6-8-16)20(15-9-10-28-13-15)21-17(24-14)11-23(2,3)12-18(21)25/h9-10,13,16,20,24H,4-8,11-12H2,1-3H3
InChIKey NMFSZHCMHWNBFU-UHFFFAOYSA-N
Mol Weight 399.55 g/mol
Molecular Formula C23H29NO3S
Exact Mass 399.186815 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GdM5wIONd2P
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-, cyclohexyl 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 399.186814969 u
Formula C23H29NO3S
InChI InChI=1S/C23H29NO3S/c1-14-19(22(26)27-16-7-5-4-6-8-16)20(15-9-10-28-13-15)21-17(24-14)11-23(2,3)12-18(21)25/h9-10,13,16,20,24H,4-8,11-12H2,1-3H3
InChIKey NMFSZHCMHWNBFU-UHFFFAOYSA-N
Molecular Weight 399.549 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3922
Solvent DMSO-d6
Source Vendor ID: NMR/9254638; Lab Info: SAS; Lab Number: SAS-TST2172
Temperature 29.85 °C