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5-(3-methoxyphenyl)-8,8-dimethyl-2-[(4-pyridinylmethyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione

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5-(3-methoxyphenyl)-8,8-dimethyl-2-[(4-pyridinylmethyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
SpectraBase Compound ID 5apxWvv7IUf
InChI InChI=1S/C26H26N4O3S/c1-26(2)12-18-21(19(31)13-26)20(16-5-4-6-17(11-16)33-3)22-23(28-18)29-25(30-24(22)32)34-14-15-7-9-27-10-8-15/h4-11,20H,12-14H2,1-3H3,(H2,28,29,30,32)
InChIKey XPLPPYJZZUHWOO-UHFFFAOYSA-N
Mol Weight 474.58 g/mol
Molecular Formula C26H26N4O3S
Exact Mass 474.172562 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HSghUEbcGtJ
Name 5-(3-methoxyphenyl)-8,8-dimethyl-2-[(4-pyridinylmethyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.172561884 u
Formula C26H26N4O3S
InChI InChI=1S/C26H26N4O3S/c1-26(2)12-18-21(19(31)13-26)20(16-5-4-6-17(11-16)33-3)22-23(28-18)29-25(30-24(22)32)34-14-15-7-9-27-10-8-15/h4-11,20H,12-14H2,1-3H3,(H2,28,29,30,32)
InChIKey XPLPPYJZZUHWOO-UHFFFAOYSA-N
Molecular Weight 474.579 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6667
Solvent DMSO-d6
Source Vendor ID: NMR/12328970