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

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3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, 2-ethoxyethyl ester
SpectraBase Compound ID ATO71Zk4ipN
InChI InChI=1S/C21H27NO4S/c1-5-25-8-9-26-20(24)17-13(2)22-14-11-21(3,4)12-15(23)18(14)19(17)16-7-6-10-27-16/h6-7,10,19,22H,5,8-9,11-12H2,1-4H3
InChIKey XNSSOYAMQILRHP-UHFFFAOYSA-N
Mol Weight 389.51 g/mol
Molecular Formula C21H27NO4S
Exact Mass 389.16608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FRsgzjIzuP6
Name 3-quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-4-(2-thienyl)-, 2-ethoxyethyl 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 389.166079523 u
Formula C21H27NO4S
InChI InChI=1S/C21H27NO4S/c1-5-25-8-9-26-20(24)17-13(2)22-14-11-21(3,4)12-15(23)18(14)19(17)16-7-6-10-27-16/h6-7,10,19,22H,5,8-9,11-12H2,1-4H3
InChIKey XNSSOYAMQILRHP-UHFFFAOYSA-N
Molecular Weight 389.510 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6789
Solvent DMSO-d6
Source Vendor ID: NMR/10220434; Lab Info: SAS; Lab Number: SAS-tst3430