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Acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-
SpectraBase Compound ID GMzsyXQe6LR
InChI InChI=1S/C21H20N4O3S/c22-9-15-8-16-20(14-3-5-25(16)6-4-14)24-21(15)29-11-19(26)23-10-13-1-2-17-18(7-13)28-12-27-17/h1-2,7-8,14H,3-6,10-12H2,(H,23,26)
InChIKey VCRREYBMZCLMNL-UHFFFAOYSA-N
Mol Weight 408.48 g/mol
Molecular Formula C21H20N4O3S
Exact Mass 408.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vfbViQ1PwD
Name Acetamide, N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-
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Formula C21H20N4O3S
InChI InChI=1S/C21H20N4O3S/c22-9-15-8-16-20(14-3-5-25(16)6-4-14)24-21(15)29-11-19(26)23-10-13-1-2-17-18(7-13)28-12-27-17/h1-2,7-8,14H,3-6,10-12H2,(H,23,26)
InChIKey VCRREYBMZCLMNL-UHFFFAOYSA-N
Molecular Weight 408.476 g/mol
SMILES N(C(CSc1nc2c(cc1C#N)N1CCC2CC1)=O)Cc1cc2c(cc1)OCO2
SPLASH splash10-0006-3910000000-5523f5c12d948dfa2d4b
Source of Spectrum IY-1-4592-4
Wiley ID 1653907