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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]-
SpectraBase Compound ID I0u7xsry3D6
InChI InChI=1S/C13H14N4OS/c14-6-9-5-10-12(8-1-3-17(10)4-2-8)16-13(9)19-7-11(15)18/h5,8H,1-4,7H2,(H2,15,18)
InChIKey ZBELTDRLCCJILX-UHFFFAOYSA-N
Mol Weight 274.34 g/mol
Molecular Formula C13H14N4OS
Exact Mass 274.088832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7oZSP7qxE6
Name Acetamide, 2-[[4-cyano-1,6-diazatricyclo[6.2.2.0(2,7)]dodeca-2(7),3,5-trien-5-yl]thio]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N4OS
InChI InChI=1S/C13H14N4OS/c14-6-9-5-10-12(8-1-3-17(10)4-2-8)16-13(9)19-7-11(15)18/h5,8H,1-4,7H2,(H2,15,18)
InChIKey ZBELTDRLCCJILX-UHFFFAOYSA-N
Molecular Weight 274.342 g/mol
SMILES NC(CSc1nc2c(cc1C#N)N1CCC2CC1)=O
SPLASH splash10-001l-9680000000-b9d8fe594ce3e1a89044
Source of Spectrum IY-1-4592-1
Wiley ID 1653904