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2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(2-pyridinyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide
SpectraBase Compound ID 3Z9roFod101
InChI InChI=1S/C25H27N3O2S/c1-15-21(24(30)28-20-7-5-6-12-26-20)22(16-8-10-17(31-4)11-9-16)23-18(27-15)13-25(2,3)14-19(23)29/h5-12,22,27H,13-14H2,1-4H3,(H,26,28,30)
InChIKey KOCLNSLPPORYAS-UHFFFAOYSA-N
Mol Weight 433.57 g/mol
Molecular Formula C25H27N3O2S
Exact Mass 433.182398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KuD7B6Y0jgU
Name 2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(2-pyridinyl)-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/C25H27N3O2S/c1-15-21(24(30)28-20-7-5-6-12-26-20)22(16-8-10-17(31-4)11-9-16)23-18(27-15)13-25(2,3)14-19(23)29/h5-12,22,27H,13-14H2,1-4H3,(H,26,28,30)
InChIKey KOCLNSLPPORYAS-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20087
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/9157721; UBI_ID: UBI-020091
Temperature 313 °C