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Propanenitrile, 2-(t-butoxycarbonylamino)-3-(p-toluenesulfonate)
SpectraBase Compound ID FE8RA6ymU0L
InChI InChI=1S/C15H20N2O5S/c1-11-5-7-13(8-6-11)23(19,20)21-10-12(9-16)17-14(18)22-15(2,3)4/h5-8,12H,10H2,1-4H3,(H,17,18)
InChIKey PUOVAUOAQOBTEK-UHFFFAOYSA-N
Mol Weight 340.39 g/mol
Molecular Formula C15H20N2O5S
Exact Mass 340.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yUEuViUoCc
Name Propanenitrile, 2-(t-butoxycarbonylamino)-3-(p-toluenesulfonate)
Alternate Name(s) 4-Methylbenzenesulfonic acid [2-cyano-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl] ester [2-(tert-butoxycarbonylamino)-2-cyano-ethyl] 4-methylbenzenesulfonate [2-cyano-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl] 4-methylbenzenesulfonate
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Formula C15H20N2O5S
InChI InChI=1S/C15H20N2O5S/c1-11-5-7-13(8-6-11)23(19,20)21-10-12(9-16)17-14(18)22-15(2,3)4/h5-8,12H,10H2,1-4H3,(H,17,18)
InChIKey PUOVAUOAQOBTEK-UHFFFAOYSA-N
Molecular Weight 340.394 g/mol
SMILES N(C(COS(c1ccc(C)cc1)(=O)=O)C#N)C(=O)OC(C)(C)C
SPLASH splash10-0a4l-9100000000-59fea85cc0f26536ce50
Wiley ID 1483497