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Hexanenitrile, 3-(dibenzylamino)-5-methyl-2-(p-tolienesulfonylamino)-
SpectraBase Compound ID 8bbsOrGrxgI
InChI InChI=1S/C28H33N3O2S/c1-22(2)18-28(27(19-29)30-34(32,33)26-16-14-23(3)15-17-26)31(20-24-10-6-4-7-11-24)21-25-12-8-5-9-13-25/h4-17,22,27-28,30H,18,20-21H2,1-3H3
InChIKey POBMPOYRAPZOSM-UHFFFAOYSA-N
Mol Weight 475.7 g/mol
Molecular Formula C28H33N3O2S
Exact Mass 475.229348 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRCdfayFJpJ
Name Hexanenitrile, 3-(dibenzylamino)-5-methyl-2-(p-tolienesulfonylamino)-
Alternate Name(s) N-[1-cyano-2-(dibenzylamino)-4-methyl-pentyl]-4-methyl-benzenesulfonamide N-[2-[bis(phenylmethyl)amino]-1-cyano-4-methyl-pentyl]-4-methyl-benzenesulfonamide N-[2-[bis(phenylmethyl)amino]-1-cyano-4-methylpentyl]-4-methylbenzenesulfonamide
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Formula C28H33N3O2S
InChI InChI=1S/C28H33N3O2S/c1-22(2)18-28(27(19-29)30-34(32,33)26-16-14-23(3)15-17-26)31(20-24-10-6-4-7-11-24)21-25-12-8-5-9-13-25/h4-17,22,27-28,30H,18,20-21H2,1-3H3
InChIKey POBMPOYRAPZOSM-UHFFFAOYSA-N
Molecular Weight 475.651 g/mol
SMILES N(C(C(CC(C)C)N(Cc1ccccc1)Cc1ccccc1)C#N)S(=O)(c1ccc(cc1)C)=O
SPLASH splash10-014l-9370000000-ab3d00c84f0a1ead1dc6
Wiley ID 1492895