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Acetamide, 2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-
SpectraBase Compound ID 9My255w8ERf
InChI InChI=1S/C23H26N4O3S/c1-29-19-4-3-15(11-20(19)30-2)5-8-25-21(28)14-31-23-17(13-24)12-18-22(26-23)16-6-9-27(18)10-7-16/h3-4,11-12,16H,5-10,14H2,1-2H3,(H,25,28)
InChIKey CVZBMENUXCXXJK-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C23H26N4O3S
Exact Mass 438.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IARkB7fufb3
Name Acetamide, 2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-
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Formula C23H26N4O3S
InChI InChI=1S/C23H26N4O3S/c1-29-19-4-3-15(11-20(19)30-2)5-8-25-21(28)14-31-23-17(13-24)12-18-22(26-23)16-6-9-27(18)10-7-16/h3-4,11-12,16H,5-10,14H2,1-2H3,(H,25,28)
InChIKey CVZBMENUXCXXJK-UHFFFAOYSA-N
Molecular Weight 438.546 g/mol
SMILES N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)CCc1cc(c(cc1)OC)OC
SPLASH splash10-03di-3910000000-bed6f6682447c879f6a1
Source of Spectrum IY-1-4592-3
Wiley ID 1653906