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

View entire compound with spectra: 1 NMR

5-(3-methoxyphenyl)-8,8-dimethyl-2-[(3-nitrobenzyl)sulfanyl]-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
SpectraBase Compound ID CGo9hWcviNA
InChI InChI=1S/C27H26N4O5S/c1-27(2)12-19-22(20(32)13-27)21(16-7-5-9-18(11-16)36-3)23-24(28-19)29-26(30-25(23)33)37-14-15-6-4-8-17(10-15)31(34)35/h4-11,21H,12-14H2,1-3H3,(H2,28,29,30,33)
InChIKey ZMMMMBBWOYVPTB-UHFFFAOYSA-N
Mol Weight 518.59 g/mol
Molecular Formula C27H26N4O5S
Exact Mass 518.162391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GXvYaBWVlpL
Name 5-(3-methoxyphenyl)-8,8-dimethyl-2-[(3-nitrobenzyl)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 518.162391122 u
Formula C27H26N4O5S
InChI InChI=1S/C27H26N4O5S/c1-27(2)12-19-22(20(32)13-27)21(16-7-5-9-18(11-16)36-3)23-24(28-19)29-26(30-25(23)33)37-14-15-6-4-8-17(10-15)31(34)35/h4-11,21H,12-14H2,1-3H3,(H2,28,29,30,33)
InChIKey ZMMMMBBWOYVPTB-UHFFFAOYSA-N
Molecular Weight 518.588 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6668
Solvent DMSO-d6
Source Vendor ID: NMR/12328971