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1-Cyano-1-ethoxy-2-p-toluenesulfonylethane
SpectraBase Compound ID 2BH1z9J56vD
InChI InChI=1S/C12H15NO3S/c1-3-16-11(8-13)9-17(14,15)12-6-4-10(2)5-7-12/h4-7,11H,3,9H2,1-2H3
InChIKey UKFKXNSXQZKKML-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38KMvGp4RC3
Name 1-Cyano-1-ethoxy-2-p-toluenesulfonylethane
Alternate Name(s) 2-Ethoxy-3-[(4-methylphenyl)sulfonyl]propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-3-16-11(8-13)9-17(14,15)12-6-4-10(2)5-7-12/h4-7,11H,3,9H2,1-2H3
InChIKey UKFKXNSXQZKKML-UHFFFAOYSA-N
Molecular Weight 253.316 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C#N)OCC
SPLASH splash10-0006-9300000000-ee0e4a81430189d58c02
Source of Spectrum F-48-2622-12
Wiley ID 1256640