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S-(Tetramethylene)-N-(1'-cyano-2'-phenyl-1'-azavin-2'-yl)sulfimide
SpectraBase Compound ID En19vNewKkB
InChI InChI=1S/C12H13N3S/c13-10-14-12(11-6-2-1-3-7-11)15-16-8-4-5-9-16/h1-3,6-7H,4-5,8-9H2/b14-12+
InChIKey CAORGJSKQFDACR-WYMLVPIESA-N
Mol Weight 231.32 g/mol
Molecular Formula C12H13N3S
Exact Mass 231.083019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDr7R5tw9Zw
Name S-(Tetramethylene)-N-(1'-cyano-2'-phenyl-1'-azavin-2'-yl)sulfimide
Alternate Name(s) N'-cyano-N-tetrahydro-1H-1lambda(4)-thien-1-ylidenebenzenecarboximidamide
Comments Less than 3 mono-isotopic peaks
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Formula C12H13N3S
InChI InChI=1S/C12H13N3S/c13-10-14-12(11-6-2-1-3-7-11)15-16-8-4-5-9-16/h1-3,6-7H,4-5,8-9H2/b14-12+
InChIKey CAORGJSKQFDACR-WYMLVPIESA-N
Molecular Weight 231.317 g/mol
SMILES C(\N=C/(N=S1CCCC1)c1ccccc1)#N
SPLASH splash10-0ue9-0970000000-954acdb074a067b54718
Source of Spectrum D8-326-269-8
Wiley ID 1514789