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3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-thienyl)-, 1-methylethyl ester

View entire compound with spectra: 2 NMR

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-thienyl)-, 1-methylethyl ester
SpectraBase Compound ID 2FrMW8oadfx
InChI InChI=1S/C18H21NO3S/c1-10(2)22-18(21)15-11(3)19-13-5-4-6-14(20)17(13)16(15)12-7-8-23-9-12/h7-10,16,19H,4-6H2,1-3H3
InChIKey LELUAAHIYCHVGJ-UHFFFAOYSA-N
Mol Weight 331.43 g/mol
Molecular Formula C18H21NO3S
Exact Mass 331.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JdfMLZpnauj
Name 3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3-thienyl)-, 1-methylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.124214711 u
Formula C18H21NO3S
InChI InChI=1S/C18H21NO3S/c1-10(2)22-18(21)15-11(3)19-13-5-4-6-14(20)17(13)16(15)12-7-8-23-9-12/h7-10,16,19H,4-6H2,1-3H3
InChIKey LELUAAHIYCHVGJ-UHFFFAOYSA-N
Molecular Weight 331.430 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=CSC=C1)C(OC(C)C)=O)C