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Methanone, [5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0(2,10).0(4,8)]pentadeca-2,4(8),5,9-tetraen-6-yl](3,4-dimethoxyphenyl)-
SpectraBase Compound ID 2a8FMxz1qx7
InChI InChI=1S/C21H21N3O3S/c1-26-15-4-3-12(9-16(15)27-2)19(25)20-17(22)13-10-14-18(23-21(13)28-20)11-5-7-24(14)8-6-11/h3-4,9-11H,5-8,22H2,1-2H3
InChIKey XWDMLVAJGZYRDE-UHFFFAOYSA-N
Mol Weight 395.48 g/mol
Molecular Formula C21H21N3O3S
Exact Mass 395.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rHRfhvcPiz
Name Methanone, [5-amino-7-thia-1,9-diazatetracyclo[9.2.2.0(2,10).0(4,8)]pentadeca-2,4(8),5,9-tetraen-6-yl](3,4-dimethoxyphenyl)-
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Formula C21H21N3O3S
InChI InChI=1S/C21H21N3O3S/c1-26-15-4-3-12(9-16(15)27-2)19(25)20-17(22)13-10-14-18(23-21(13)28-20)11-5-7-24(14)8-6-11/h3-4,9-11H,5-8,22H2,1-2H3
InChIKey XWDMLVAJGZYRDE-UHFFFAOYSA-N
Molecular Weight 395.477 g/mol
SMILES Nc1c(sc2nc3c(cc12)N1CCC3CC1)C(=O)c1ccc(c(c1)OC)OC
SPLASH splash10-0007-2419000000-bcaba2eebdc23bd14f1d
Source of Spectrum IY-1-4502-7
Wiley ID 1653010