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8-Thia-4,5,6-triazatricyclo[7.6.0.0(2,7)]pentadeca-1(9),2(7),5-trien-3-one
SpectraBase Compound ID BmBYaTpZM3O
InChI InChI=1S/C11H13N3OS/c15-10-9-7-5-3-1-2-4-6-8(7)16-11(9)13-14-12-10/h1-6H2,(H,12,13,15)
InChIKey YUVRFHLGJYPEST-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C11H13N3OS
Exact Mass 235.077933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tURaHAB7Y
Name 8-Thia-4,5,6-triazatricyclo[7.6.0.0(2,7)]pentadeca-1(9),2(7),5-trien-3-one
Alternate Name(s) Cycloocta[4,5]thieno[2,3-d][1,2,3]triazin-4(3H)-one, 5,6,7,8,9,10-hexahydro- 5,6,7,8,9,10-hexahydro-3H-cycloocta[2,3]thieno[2,4-b][1,2,3]triazin-4-one
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Formula C11H13N3OS
InChI InChI=1S/C11H13N3OS/c15-10-9-7-5-3-1-2-4-6-8(7)16-11(9)13-14-12-10/h1-6H2,(H,12,13,15)
InChIKey YUVRFHLGJYPEST-UHFFFAOYSA-N
Molecular Weight 235.305 g/mol
SMILES N1C(c2c3CCCCCCc3sc2N=N1)=O
SPLASH splash10-03y3-9500000000-0be80a7a66fa6394b3f4
Source of Spectrum IY-2-5208-9
Wiley ID 1660072