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2-[(2,4-dichlorobenzyl)sulfanyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID BacbuPFABtM
InChI InChI=1S/C26H24Cl2N2O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)23-17(12-29)26(30-19-5-4-6-20(31)24(19)23)35-13-14-7-8-16(27)11-18(14)28/h7-11,23,30H,4-6,13H2,1-3H3
InChIKey IJVPPEFUOLLNPX-UHFFFAOYSA-N
Mol Weight 531.45 g/mol
Molecular Formula C26H24Cl2N2O4S
Exact Mass 530.083384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IQZdQlJeHdB
Name 2-[(2,4-dichlorobenzyl)sulfanyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
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/C26H24Cl2N2O4S/c1-32-21-9-15(10-22(33-2)25(21)34-3)23-17(12-29)26(30-19-5-4-6-20(31)24(19)23)35-13-14-7-8-16(27)11-18(14)28/h7-11,23,30H,4-6,13H2,1-3H3
InChIKey IJVPPEFUOLLNPX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_24589
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: D47737; Labnumber: SHEL-0036; SBI_ID: SBI-024593
Temperature 318 °C