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6-(Ethoxycarbonylmethylthio)-8,8,9a-trimethylpyrimidino[3,4-a]benzimidazole
SpectraBase Compound ID GQrWQAcxjV0
InChI InChI=1S/C17H23N3O2S/c1-5-22-14(21)10-23-15-19-16(2,3)11-17(4)18-12-8-6-7-9-13(12)20(15)17/h6-9,18H,5,10-11H2,1-4H3
InChIKey XOHSVODDNPXWOS-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C17H23N3O2S
Exact Mass 333.151098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85r9yVrbXch
Name 6-(Ethoxycarbonylmethylthio)-8,8,9a-trimethylpyrimidino[3,4-a]benzimidazole
Alternate Name(s) Ethyl 2-[(3,3,4a-trimethyl-4,5-dihydropyrimido[1,6-a]benzimidazol-1-yl)sulfanyl]acetate Ethyl 2-[(3,3,4a-trimethyl-4,5-dihydropyrimido[1,6-a]benzimidazol-1-yl)sulfanyl]ethanoate
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Formula C17H23N3O2S
InChI InChI=1S/C17H23N3O2S/c1-5-22-14(21)10-23-15-19-16(2,3)11-17(4)18-12-8-6-7-9-13(12)20(15)17/h6-9,18H,5,10-11H2,1-4H3
InChIKey XOHSVODDNPXWOS-UHFFFAOYSA-N
Molecular Weight 333.450 g/mol
SMILES N1c2c(N3C1(CC(N=C3SCC(=O)OCC)(C)C)C)cccc2
SPLASH splash10-001i-0904000000-8e05c84a5daf8688cfb7
Source of Spectrum SO-0-1179-6
Wiley ID 1545240