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5-(Tosyloxy)-2-pentenenitrile
SpectraBase Compound ID 1FCEXuJNaRW
InChI InChI=1S/C12H13NO3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-4-2-3-9-13/h2-3,5-8H,4,10H2,1H3/b3-2+
InChIKey AUTSKSJOJXCFGS-NSCUHMNNSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G14W92YYHIl
Name 5-(Tosyloxy)-2-pentenenitrile
Alternate Name(s) [(E)-4-cyanobut-3-enyl] 4-methylbenzenesulfonate
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Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-11-5-7-12(8-6-11)17(14,15)16-10-4-2-3-9-13/h2-3,5-8H,4,10H2,1H3/b3-2+
InChIKey AUTSKSJOJXCFGS-NSCUHMNNSA-N
Molecular Weight 251.300 g/mol
SMILES c1(S(=O)(=O)OCC\C=C\C#N)ccc(cc1)C
SPLASH splash10-0a4u-6900000000-cb80d93fd5305bb8bd5e
Source of Spectrum U1-2009-4682-20
Wiley ID 1697173