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N,N-Diethyl-2-[2-methyl-1-(p-tolylsulfonyl)propyl]heptanamide
SpectraBase Compound ID Hkfn1VTZgvP
InChI InChI=1S/C22H37NO3S/c1-7-10-11-12-20(22(24)23(8-2)9-3)21(17(4)5)27(25,26)19-15-13-18(6)14-16-19/h13-17,20-21H,7-12H2,1-6H3
InChIKey FKKCGXFBLROUGU-UHFFFAOYSA-N
Mol Weight 395.6 g/mol
Molecular Formula C22H37NO3S
Exact Mass 395.249415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2tgGtii2dVR
Name N,N-Diethyl-2-[2-methyl-1-(p-tolylsulfonyl)propyl]heptanamide
Alternate Name(s) N,N-diethyl-2-{2-methyl-1-[(4-methylphenyl)sulfonyl]propyl}heptanamide
Comments Less than 3 mono-isotopic peaks
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Formula C22H37NO3S
InChI InChI=1S/C22H37NO3S/c1-7-10-11-12-20(22(24)23(8-2)9-3)21(17(4)5)27(25,26)19-15-13-18(6)14-16-19/h13-17,20-21H,7-12H2,1-6H3
InChIKey FKKCGXFBLROUGU-UHFFFAOYSA-N
Molecular Weight 395.602 g/mol
SMILES C(C(CCCCC)C(C(C)C)S(=O)(=O)c1ccc(cc1)C)(=O)N(CC)CC
SPLASH splash10-0006-0090000000-d89ac5108b01ce80f842
Source of Spectrum AJ-66-2343-3
Wiley ID 772175