For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
methyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 9QtXm7db5cO
InChI InChI=1S/C26H27ClFNO4S/c1-13-22(25(31)32-5)24(23-18(29-13)10-26(3,4)11-19(23)30)21-8-15(14(2)34-21)12-33-20-7-6-16(28)9-17(20)27/h6-9,24,29H,10-12H2,1-5H3
InChIKey XXBRNBCKXNPGMG-UHFFFAOYSA-N
Mol Weight 504.02 g/mol
Molecular Formula C26H27ClFNO4S
Exact Mass 503.133335 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID yO2T7KQBRD
Name methyl 4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-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/C26H27ClFNO4S/c1-13-22(25(31)32-5)24(23-18(29-13)10-26(3,4)11-19(23)30)21-8-15(14(2)34-21)12-33-20-7-6-16(28)9-17(20)27/h6-9,24,29H,10-12H2,1-5H3
InChIKey XXBRNBCKXNPGMG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13503
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/1010359; UBI_ID: UBI-013506
Temperature 308 °C