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2-CYANOPHENYL-4-TOLUENESULFONATE
SpectraBase Compound ID 67OCQAT67sI
InChI InChI=1S/C14H11NO3S/c1-11-6-8-13(9-7-11)19(16,17)18-14-5-3-2-4-12(14)10-15/h2-9H,1H3
InChIKey WHVVKGYVTVDHFZ-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C14H11NO3S
Exact Mass 273.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4THVr0cvGGU
Name 2-(p-Toluenesulfonyloxy)benzonitrile
Alternate Name(s) (2-cyanophenyl) 4-methylbenzenesulfonate
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Formula C14H11NO3S
InChI InChI=1S/C14H11NO3S/c1-11-6-8-13(9-7-11)19(16,17)18-14-5-3-2-4-12(14)10-15/h2-9H,1H3
InChIKey WHVVKGYVTVDHFZ-UHFFFAOYSA-N
Molecular Weight 273.306 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(C#N)cccc1
SPLASH splash10-052f-9620000000-3f1c567aa5a435899160
Source of Spectrum U1-2009-2255-6
Wiley ID 1662824