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Rac-N-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-S-cyclohexyl-S-methylsulfoximine
SpectraBase Compound ID EvpVOHLIYa1
InChI InChI=1S/C16H21N3O3S/c1-19-15(20)13-10-11(8-9-14(13)17-16(19)21)18-23(2,22)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,21)
InChIKey OKNNKHRAFYXDBL-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C16H21N3O3S
Exact Mass 335.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvHX2BNG19S
Name Rac-N-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)-S-cyclohexyl-S-methylsulfoximine
Appearance White solid
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Formula C16H21N3O3S
InChI InChI=1S/C16H21N3O3S/c1-19-15(20)13-10-11(8-9-14(13)17-16(19)21)18-23(2,22)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,17,21)
InChIKey OKNNKHRAFYXDBL-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.9b00625
Molecular Weight 335.422 g/mol
Reported Formula C16H21N3O3S
SMILES N1c2c(C(N(C1=O)C)=O)cc(cc2)N=S(C1CCCCC1)(=O)C
SPLASH splash10-000l-3963000000-bbe58f224baeec75d857
Source of Spectrum MCS-11-SM37-14
Wiley ID 1880135