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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CqIldFNdebn
Name Benzenesulfonamide, 2,4,6-tris(1-methylethyl)-N-[3-nitro-4-[[4-(octyloxy)phenyl]amino]phenyl]-
Alternate Name(s) 2,4,6-triisopropyl-N-(3-nitro-4-((4-(octyloxy)phenyl)amino)phenyl)benzenesulfonamide N-(3-nitro-4-{[4-(octyloxy)phenyl]amino}phenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide N-[3-nitro-4-(4-octoxyanilino)phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide N-[3-nitro-4-[(4-octoxyphenyl)amino]phenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 N(c1ccc(OCCCCCCCC)cc1)c1ccc(cc1[N+]([O-])=O)NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C
SPLASH splash10-0a4l-6849002000-787acdd81d4920f17d31
Source of Spectrum JX-2015-4-1336
Wiley ID 1726724