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FAYRYOFLEZZUEF-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR, and 1 MS (GC)

FAYRYOFLEZZUEF-UHFFFAOYSA-N
SpectraBase Compound ID 9rVbJ25RtBZ
InChI InChI=1S/C21H23N3O3S/c1-21(2)9-13-16(14(25)10-21)15(11-5-7-12(27-3)8-6-11)17-18(22-13)23-20(28-4)24-19(17)26/h5-8,15H,9-10H2,1-4H3,(H2,22,23,24,26)
InChIKey FAYRYOFLEZZUEF-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C21H23N3O3S
Exact Mass 397.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARWUNZeP7Wx
Name 5-(4-Methoxyphenyl)-8,8-dimethyl-2-(methylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Alternate Name(s) 5-(4-Methoxyphenyl)-8,8-dimethyl-2-(methylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione 5-(4-Methoxyphenyl)-8,8-dimethyl-2-(methylthio)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone 5-(4-Methoxyphenyl)-8,8-dimethyl-2-methylsulfanyl-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O3S
InChI InChI=1S/C21H23N3O3S/c1-21(2)9-13-16(14(25)10-21)15(11-5-7-12(27-3)8-6-11)17-18(22-13)23-20(28-4)24-19(17)26/h5-8,15H,9-10H2,1-4H3,(H2,22,23,24,26)
InChIKey FAYRYOFLEZZUEF-UHFFFAOYSA-N
Molecular Weight 397.493 g/mol
SMILES N1C(C=2C(C3=C(CC(CC3=O)(C)C)NC2N=C1SC)c1ccc(cc1)OC)=O
SPLASH splash10-0006-8094000000-fcd3f945e0e09fe2de22
Source of Spectrum Y-35-233-4
Wiley ID 1367957