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Methyl 3-acetyl-6-(4-chlorophenyl)-2-methyl-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-8-carboxylate
SpectraBase Compound ID bg11fM7L2o
InChI InChI=1S/C21H18ClN3O3S2/c1-13-18(14(2)26)29-21(24(13)16-7-5-4-6-8-16)25(17-11-9-15(22)10-12-17)23-19(30-21)20(27)28-3/h4-12H,1-3H3
InChIKey GTHZSDXZTUDJMI-UHFFFAOYSA-N
Mol Weight 459.97 g/mol
Molecular Formula C21H18ClN3O3S2
Exact Mass 459.047811 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ja8x2vsCYb5
Name Methyl 3-acetyl-6-(4-chlorophenyl)-2-methyl-1-phenyl-4,9-dithia-1,6,7-triazaspiro[4.4]nona-2,7-diene-8-carboxylate
Alternate Name(s) Methyl 7-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate Methyl 7-acetyl-4-(4-chlorophenyl)-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate Methyl 4-(4-chlorophenyl)-7-ethanoyl-8-methyl-9-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]nona-2,7-diene-2-carboxylate
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Formula C21H18ClN3O3S2
InChI InChI=1S/C21H18ClN3O3S2/c1-13-18(14(2)26)29-21(24(13)16-7-5-4-6-8-16)25(17-11-9-15(22)10-12-17)23-19(30-21)20(27)28-3/h4-12H,1-3H3
InChIKey GTHZSDXZTUDJMI-UHFFFAOYSA-N
Molecular Weight 459.966 g/mol
SMILES C12(SC(C(=O)OC)=NN2c2ccc(cc2)Cl)N(C(C)=C(S1)C(=O)C)c1ccccc1
SPLASH splash10-00ov-9751000000-e8f9d34126214500791f
Wiley ID 1453888