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

View entire compound with spectra: 1 NMR

2-[(2,4-dimethylbenzyl)sulfanyl]-5-(3-methoxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
SpectraBase Compound ID BOjm23g12ot
InChI InChI=1S/C29H31N3O3S/c1-16-9-10-19(17(2)11-16)15-36-28-31-26-25(27(34)32-28)23(18-7-6-8-20(12-18)35-5)24-21(30-26)13-29(3,4)14-22(24)33/h6-12,23H,13-15H2,1-5H3,(H2,30,31,32,34)
InChIKey DRQHCZXZWIHVKH-UHFFFAOYSA-N
Mol Weight 501.65 g/mol
Molecular Formula C29H31N3O3S
Exact Mass 501.208613 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 93e2juA3jIp
Name 2-[(2,4-dimethylbenzyl)sulfanyl]-5-(3-methoxyphenyl)-8,8-dimethyl-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 501.208613041 u
Formula C29H31N3O3S
InChI InChI=1S/C29H31N3O3S/c1-16-9-10-19(17(2)11-16)15-36-28-31-26-25(27(34)32-28)23(18-7-6-8-20(12-18)35-5)24-21(30-26)13-29(3,4)14-22(24)33/h6-12,23H,13-15H2,1-5H3,(H2,30,31,32,34)
InChIKey DRQHCZXZWIHVKH-UHFFFAOYSA-N
Molecular Weight 501.645 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6665
Solvent DMSO-d6
Source Vendor ID: NMR/12328967