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

*Links on SpectraBase are not permalinks.
N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
SpectraBase Compound ID AKGijEGuY5N
InChI InChI=1S/C25H26BrN3O2S/c1-14-21(24(31)29-20-10-7-16(26)13-27-20)22(15-5-8-17(32-4)9-6-15)23-18(28-14)11-25(2,3)12-19(23)30/h5-10,13,22,28H,11-12H2,1-4H3,(H,27,29,31)
InChIKey VTDUPFPVYLYMDJ-UHFFFAOYSA-N
Mol Weight 512.47 g/mol
Molecular Formula C25H26BrN3O2S
Exact Mass 511.092911 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 CqmMMBhsn4r
Name N-(5-bromo-2-pyridinyl)-2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
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/C25H26BrN3O2S/c1-14-21(24(31)29-20-10-7-16(26)13-27-20)22(15-5-8-17(32-4)9-6-15)23-18(28-14)11-25(2,3)12-19(23)30/h5-10,13,22,28H,11-12H2,1-4H3,(H,27,29,31)
InChIKey VTDUPFPVYLYMDJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2539
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/9173498; Labnumber: ARC-04/0939; UZI_ID: UZI-002541
Temperature 308 °C