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Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-[3-nitro-4-[[4-(octyloxy)phenyl]amino]phenyl]-

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Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-[3-nitro-4-[[4-(octyloxy)phenyl]amino]phenyl]-
SpectraBase Compound ID K58lbzoePfm
InChI InChI=1S/C35H49N3O5S/c1-8-9-10-11-12-13-20-43-30-17-14-28(15-18-30)36-33-19-16-29(23-34(33)38(39)40)37-44(41,42)35-31(25(4)5)21-27(24(2)3)22-32(35)26(6)7/h14-19,21-26,36-37H,8-13,20H2,1-7H3
InChIKey WCKANNNBGSFPMK-UHFFFAOYSA-N
Mol Weight 623.9 g/mol
Molecular Formula C35H49N3O5S
Exact Mass 623.339293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADD4f867sJQ
Name Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-[3-nitro-4-[[4-(octyloxy)phenyl]amino]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 623.339292859 u
Formula C35H49N3O5S
InChI InChI=1S/C35H49N3O5S/c1-8-9-10-11-12-13-20-43-30-17-14-28(15-18-30)36-33-19-16-29(23-34(33)38(39)40)37-44(41,42)35-31(25(4)5)21-27(24(2)3)22-32(35)26(6)7/h14-19,21-26,36-37H,8-13,20H2,1-7H3
InChIKey WCKANNNBGSFPMK-UHFFFAOYSA-N
Molecular Weight 623.853 g/mol
SMILES CCCCCCCCOC1=CC=C(NC2=CC=C(NS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)C=C2[N+]([O-])=O)C=C1