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N-Tosyl-2-[(E)-2-(3,3,5,5-tetramethylcyclohexyl-1-enyl)ethenyl]aniline
SpectraBase Compound ID 2oY3HVo6J4K
InChI InChI=1S/C25H31NO2S/c1-19-10-14-22(15-11-19)29(27,28)26-23-9-7-6-8-21(23)13-12-20-16-24(2,3)18-25(4,5)17-20/h6-16,26H,17-18H2,1-5H3/b13-12+
InChIKey LIRLTRPTDPVHPM-OUKQBFOZSA-N
Mol Weight 409.59 g/mol
Molecular Formula C25H31NO2S
Exact Mass 409.20755 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbOlBg3MyHz
Name N-Tosyl-2-[(E)-2-(3,3,5,5-tetramethylcyclohexyl-1-enyl)ethenyl]aniline
Alternate Name(s) 4-methyl-N-{2-[(E)-2-(3,3,5,5-tetramethyl-1-cyclohexen-1-yl)ethenyl]phenyl}benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO2S
InChI InChI=1S/C25H31NO2S/c1-19-10-14-22(15-11-19)29(27,28)26-23-9-7-6-8-21(23)13-12-20-16-24(2,3)18-25(4,5)17-20/h6-16,26H,17-18H2,1-5H3/b13-12+
InChIKey LIRLTRPTDPVHPM-OUKQBFOZSA-N
Molecular Weight 409.588 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)c1c(\C=C\C2=CC(C)(C)CC(C2)(C)C)cccc1
SPLASH splash10-0udi-0090000000-10c6ecc0ae323d83dd39
Source of Spectrum F-54-9974-1
Wiley ID 808370