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N-dodecyl-N-octyl-p-toluenesulfonamide

View entire compound with spectra: 2 NMR, and 1 FTIR

N-dodecyl-N-octyl-p-toluenesulfonamide
SpectraBase Compound ID DN1yCmm54LZ
InChI InChI=1S/C27H49NO2S/c1-4-6-8-10-12-13-14-15-17-19-25-28(24-18-16-11-9-7-5-2)31(29,30)27-22-20-26(3)21-23-27/h20-23H,4-19,24-25H2,1-3H3
InChIKey NCKANAKFBYJVRD-UHFFFAOYSA-N
Mol Weight 451.8 g/mol
Molecular Formula C27H49NO2S
Exact Mass 451.348401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91RJNFBOGhe
Name N-Dodecyl-N-octyl-p-toluenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.348400994 u
Formula C27H49NO2S
InChI InChI=1S/C27H49NO2S/c1-4-6-8-10-12-13-14-15-17-19-25-28(24-18-16-11-9-7-5-2)31(29,30)27-22-20-26(3)21-23-27/h20-23H,4-19,24-25H2,1-3H3
InChIKey NCKANAKFBYJVRD-UHFFFAOYSA-N
Molecular Weight 451.754 g/mol
SMILES C=1C(=CC=C(C1)C)S(=O)(=O)N(CCCCCCCCCCCC)CCCCCCCC