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(1R,4S)-2,4-Dimethyl-1-phenylsulfanylmethyl-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione
SpectraBase Compound ID 1pOHlUc1lFy
InChI InChI=1S/C20H19N3O2S/c1-13-19(24)22(2)17(12-26-14-8-4-3-5-9-14)18-21-16-11-7-6-10-15(16)20(25)23(13)18/h3-11,13,17H,12H2,1-2H3/t13-,17-/m0/s1
InChIKey WKXXAYNEUZHEGJ-GUYCJALGSA-N
Mol Weight 365.45 g/mol
Molecular Formula C20H19N3O2S
Exact Mass 365.119798 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ib8IC0pRmBR
Name (1R,4S)-2,4-Dimethyl-1-phenylsulfanylmethyl-1,2-dihydro-2,4a,9-triaza-anthracene-3,10-dione
Alternate Name(s) (+-)-(1S*,4S*)-2,4-Dimethyl-1-phenylthiomethyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (1R,4S)-2,4-dimethyl-1-[(phenylsulfanyl)methyl]-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione
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Formula C20H19N3O2S
InChI InChI=1S/C20H19N3O2S/c1-13-19(24)22(2)17(12-26-14-8-4-3-5-9-14)18-21-16-11-7-6-10-15(16)20(25)23(13)18/h3-11,13,17H,12H2,1-2H3/t13-,17-/m0/s1
InChIKey WKXXAYNEUZHEGJ-GUYCJALGSA-N
Molecular Weight 365.451 g/mol
SMILES C=12N([C@](C(N([C@]2(CSc2ccccc2)[H])C)=O)(C)[H])C(c2c(N1)cccc2)=O
SPLASH splash10-0a4i-0091000000-a9ebf87c1916de9fbadb
Source of Spectrum KC-57-1993-13
Wiley ID 1623261