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3-quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester

View entire compound with spectra: 1 NMR

3-quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl ester
SpectraBase Compound ID 4AQ4yXRXsWz
InChI InChI=1S/C24H29NO5S/c1-5-31-9-8-28-23(27)20-14(2)25-16-11-24(3,4)12-17(26)22(16)21(20)15-6-7-18-19(10-15)30-13-29-18/h6-7,10,21,25H,5,8-9,11-13H2,1-4H3
InChIKey PRDMVRFMMQZSIN-UHFFFAOYSA-N
Mol Weight 443.56 g/mol
Molecular Formula C24H29NO5S
Exact Mass 443.176644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HKheciQjNbA
Name 3-quinolinecarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, 2-(ethylthio)ethyl 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 443.176644207 u
Formula C24H29NO5S
InChI InChI=1S/C24H29NO5S/c1-5-31-9-8-28-23(27)20-14(2)25-16-11-24(3,4)12-17(26)22(16)21(20)15-6-7-18-19(10-15)30-13-29-18/h6-7,10,21,25H,5,8-9,11-13H2,1-4H3
InChIKey PRDMVRFMMQZSIN-UHFFFAOYSA-N
Molecular Weight 443.558 g/mol
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_631
Solvent DMSO-d6
Source Vendor ID: ZI/8099206; Lab Info: SAS; Lab Number: SAS-0050399
Temperature 23.85 °C