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6-Cyano-1H-3,4-dihydrothiepino[3,4-hi]indolizine - S-dioxide
SpectraBase Compound ID 8XRDV8TiAf7
InChI InChI=1S/C12H10N2O2S/c13-7-11-6-9-3-5-17(15,16)8-10-2-1-4-14(11)12(9)10/h1-2,4,6H,3,5,8H2
InChIKey JQGNEQPONQBITE-UHFFFAOYSA-N
Mol Weight 246.28 g/mol
Molecular Formula C12H10N2O2S
Exact Mass 246.046299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTePrcZenJB
Name 6-Cyano-1H-3,4-dihydrothiepino[3,4-hi]indolizine - S-dioxide
Comments Less than 3 mono-isotopic peaks
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Formula C12H10N2O2S
InChI InChI=1S/C12H10N2O2S/c13-7-11-6-9-3-5-17(15,16)8-10-2-1-4-14(11)12(9)10/h1-2,4,6H,3,5,8H2
InChIKey JQGNEQPONQBITE-UHFFFAOYSA-N
Molecular Weight 246.284 g/mol
SMILES c12[n]3c(C#N)cc2CCS(CC1=CC=C3)(=O)=O
SPLASH splash10-001i-0920000000-9a83e51239e9465d060e
Source of Spectrum D8-326-137-9
Wiley ID 1514686