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Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID B3wmfl7VZPX
InChI InChI=1S/C29H49ClN2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-37(35,36)32-24-19-20-25(30)26(22-24)31-28(34)23-27(33)29(2,3)4/h19-20,22,32H,5-18,21,23H2,1-4H3,(H,31,34)
InChIKey JRLRLQORDCAMLV-UHFFFAOYSA-N
Mol Weight 557.2 g/mol
Molecular Formula C29H49ClN2O4S
Exact Mass 556.310157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xfWmXdeKm
Name Pentanamide, N-[2-chloro-5-[(hexadecylsulfonyl)amino]phenyl]-4,4-dimethyl-3-oxo-
Alternate Name(s) N-(2-chloro-5-(hexadecylsulfonamido)phenyl)-4,4-dimethyl-3-oxopentanamide N-{2-chloro-5-[(hexadecylsulfonyl)amino]phenyl}-4,4-dimethyl-3-oxopentanamide N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxopentanamide N-[2-chloro-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxo-pentanamide N-[2-chloranyl-5-(hexadecylsulfonylamino)phenyl]-4,4-dimethyl-3-oxidanylidene-pentanamide
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Formula C29H49ClN2O4S
InChI InChI=1S/C29H49ClN2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-37(35,36)32-24-19-20-25(30)26(22-24)31-28(34)23-27(33)29(2,3)4/h19-20,22,32H,5-18,21,23H2,1-4H3,(H,31,34)
InChIKey JRLRLQORDCAMLV-UHFFFAOYSA-N
Molecular Weight 557.234 g/mol
SMILES N(S(CCCCCCCCCCCCCCCC)(=O)=O)c1ccc(c(c1)NC(=O)CC(=O)C(C)(C)C)Cl
SPLASH splash10-000x-9700500000-99e65d07fbc0a8b7f537
Source of Spectrum JX-2015-4-1180
Wiley ID 1726574