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ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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ethyl 4-{4-[(4-chloro-2-methylphenoxy)methyl]-5-methyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 2cLFPOPYJ2r
InChI InChI=1S/C28H32ClNO4S/c1-7-33-27(32)24-16(3)30-20-12-28(5,6)13-21(31)25(20)26(24)23-11-18(17(4)35-23)14-34-22-9-8-19(29)10-15(22)2/h8-11,26,30H,7,12-14H2,1-6H3
InChIKey PNVIKXNOPUJVDI-UHFFFAOYSA-N
Mol Weight 514.1 g/mol
Molecular Formula C28H32ClNO4S
Exact Mass 513.174057 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5bz8j64ZmHz
Name ethyl 4-{4-[(4-chloro-2-methylphenoxy)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/C28H32ClNO4S/c1-7-33-27(32)24-16(3)30-20-12-28(5,6)13-21(31)25(20)26(24)23-11-18(17(4)35-23)14-34-22-9-8-19(29)10-15(22)2/h8-11,26,30H,7,12-14H2,1-6H3
InChIKey PNVIKXNOPUJVDI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14084
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/1010738; UBI_ID: UBI-014087
Temperature 308 °C