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N-Benzyl-N-(1-isobutyl-2-methyl-4-octynyl)-4-methylbenzene sulfonamide
SpectraBase Compound ID 24ZEj6Uu1gO
InChI InChI=1S/C27H37NO2S/c1-6-7-8-10-13-24(5)27(20-22(2)3)28(21-25-14-11-9-12-15-25)31(29,30)26-18-16-23(4)17-19-26/h9,11-12,14-19,22,24,27H,6-7,13,20-21H2,1-5H3
InChIKey KGCMLZSOAJHXPO-UHFFFAOYSA-N
Mol Weight 439.7 g/mol
Molecular Formula C27H37NO2S
Exact Mass 439.254501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I6WZGmx86L5
Name N-Benzyl-N-(1-isobutyl-2-methyl-4-octynyl)-4-methylbenzene sulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO2S
InChI InChI=1S/C27H37NO2S/c1-6-7-8-10-13-24(5)27(20-22(2)3)28(21-25-14-11-9-12-15-25)31(29,30)26-18-16-23(4)17-19-26/h9,11-12,14-19,22,24,27H,6-7,13,20-21H2,1-5H3
InChIKey KGCMLZSOAJHXPO-UHFFFAOYSA-N
Molecular Weight 439.658 g/mol
SMILES c1(ccc(cc1)C)S(=O)(=O)N(C(C(CC#CCCC)C)CC(C)C)Cc1ccccc1
SPLASH splash10-000x-9016000000-68275f71c88ff07f5756
Source of Spectrum QF-9-2796-19
Wiley ID 1558555