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N-[1-cyano-2-(dibenzylamino)-3-methyl-butyl]-4-methyl-benzenesulfonamide
SpectraBase Compound ID L9It0N3PR51
InChI InChI=1S/C27H31N3O2S/c1-21(2)27(26(18-28)29-33(31,32)25-16-14-22(3)15-17-25)30(19-23-10-6-4-7-11-23)20-24-12-8-5-9-13-24/h4-17,21,26-27,29H,19-20H2,1-3H3
InChIKey YAKBXKBACCHUHT-UHFFFAOYSA-N
Mol Weight 461.62 g/mol
Molecular Formula C27H31N3O2S
Exact Mass 461.213698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17NAlffY1Cy
Name PENTANOIC ACID NITRILE, 3-(DIBENZYLAMINO)-4-METHYL-2-(p-TOSYLAMINO)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H31N3O2S
InChI InChI=1S/C27H31N3O2S/c1-21(2)27(26(18-28)29-33(31,32)25-16-14-22(3)15-17-25)30(19-23-10-6-4-7-11-23)20-24-12-8-5-9-13-24/h4-17,21,26-27,29H,19-20H2,1-3H3
InChIKey YAKBXKBACCHUHT-UHFFFAOYSA-N
Instrument Name 311A
Molecular Weight 461.2130
SMILES N(S(c1ccc(C)cc1)(=O)=O)C(C#N)C(N(Cc1ccccc1)Cc1ccccc1)C(C)C
SPLASH splash10-0udl-9370000000-fa47945f9ad2f77f625f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany