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5-allyl-2-[(7-chloro-2-hydroxy-4-phenyl-3-quinolinyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone
SpectraBase Compound ID cHtfMkZDca
InChI InChI=1S/C23H18ClN3O2S/c1-3-7-16-13(2)25-23(27-21(16)28)30-20-19(14-8-5-4-6-9-14)17-11-10-15(24)12-18(17)26-22(20)29/h3-6,8-12H,1,7H2,2H3,(H,26,29)(H,25,27,28)
InChIKey NNBPSDYVRGRLBD-UHFFFAOYSA-N
Mol Weight 435.93 g/mol
Molecular Formula C23H18ClN3O2S
Exact Mass 435.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G4LUkh9XnoG
Name 5-allyl-2-[(7-chloro-2-hydroxy-4-phenyl-3-quinolinyl)sulfanyl]-6-methyl-4(3H)-pyrimidinone
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/C23H18ClN3O2S/c1-3-7-16-13(2)25-23(27-21(16)28)30-20-19(14-8-5-4-6-9-14)17-11-10-15(24)12-18(17)26-22(20)29/h3-6,8-12H,1,7H2,2H3,(H,26,29)(H,25,27,28)
InChIKey NNBPSDYVRGRLBD-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13349
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/9120869; UBI_ID: UBI-013352
Temperature 313 °C