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ethyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 8xiL44tAxjb
InChI InChI=1S/C25H25ClFNO4S/c1-4-31-25(30)22-13(2)28-18-6-5-7-19(29)23(18)24(22)21-10-15(14(3)33-21)12-32-20-9-8-16(27)11-17(20)26/h8-11,24,28H,4-7,12H2,1-3H3
InChIKey FQMNALNNYUUORX-UHFFFAOYSA-N
Mol Weight 489.99 g/mol
Molecular Formula C25H25ClFNO4S
Exact Mass 489.117685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5VMswEgV8qx
Name ethyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H25ClFNO4S/c1-4-31-25(30)22-13(2)28-18-6-5-7-19(29)23(18)24(22)21-10-15(14(3)33-21)12-32-20-9-8-16(27)11-17(20)26/h8-11,24,28H,4-7,12H2,1-3H3
InChIKey FQMNALNNYUUORX-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13186
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1010223; UBI_ID: UBI-013189
Temperature 308 °C