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N-[keto-[(2R,3R)-3-octyloxiran-2-yl]-phenyl-persulfuranylidene]-4-methyl-benzenesulfonamide
SpectraBase Compound ID 2qHZH8DYoMg
InChI InChI=1S/C23H31NO4S2/c1-3-4-5-6-7-11-14-22-23(28-22)29(25,20-12-9-8-10-13-20)24-30(26,27)21-17-15-19(2)16-18-21/h8-10,12-13,15-18,22-23H,3-7,11,14H2,1-2H3/t22-,23-,29-/m1/s1
InChIKey AKRNTNNSSLISPU-VDWGHMIBSA-N
Mol Weight 449.62 g/mol
Molecular Formula C23H31NO4S2
Exact Mass 449.169451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5ugcrLtFgJ
Name N-[keto-[(2R,3R)-3-octyloxiran-2-yl]-phenyl-persulfuranylidene]-4-methyl-benzenesulfonamide
Alternate Name(s) 4-methyl-N-[[(2R,3R)-3-octyl-2-oxiranyl]-oxo-phenyl-$l^{6}-sulfanylidene]benzenesulfonamide 4-methyl-N-[[(2R,3R)-3-octyloxiran-2-yl]-oxo-phenyl-$l^{6}-sulfanylidene]benzenesulfonamide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO4S2
InChI InChI=1S/C23H31NO4S2/c1-3-4-5-6-7-11-14-22-23(28-22)29(25,20-12-9-8-10-13-20)24-30(26,27)21-17-15-19(2)16-18-21/h8-10,12-13,15-18,22-23H,3-7,11,14H2,1-2H3/t22-,23-,29-/m1/s1
InChIKey AKRNTNNSSLISPU-VDWGHMIBSA-N
Molecular Weight 449.624 g/mol
SMILES [C@@]1([S@](=NS(c2ccc(cc2)C)(=O)=O)(=O)c2ccccc2)(O[C@@]1(CCCCCCCC)[H])[H]
SPLASH splash10-001i-0000900000-9b46bac0c5115003314e
Source of Spectrum KC-0-3361-6
Wiley ID 826727