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2-Ethyl-3-methyl-7-(p-toluenesulfonyloxy)ndole
SpectraBase Compound ID FIoMtvbp6l8
InChI InChI=1S/C18H19NO3S/c1-4-16-13(3)15-6-5-7-17(18(15)19-16)22-23(20,21)14-10-8-12(2)9-11-14/h5-11,19H,4H2,1-3H3
InChIKey IJLMEYVJKOAINJ-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OSG6dao4ga
Name 2-Ethyl-3-methyl-7-(p-toluenesulfonyloxy)ndole
Alternate Name(s) 2-ethyl-3-methyl-1H-indol-7-yl 4-methylbenzenesulfonate (2-ethyl-3-methyl-1H-indol-7-yl) 4-methylbenzenesulfonate
Comments Less than 3 mono-isotopic peaks
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Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-4-16-13(3)15-6-5-7-17(18(15)19-16)22-23(20,21)14-10-8-12(2)9-11-14/h5-11,19H,4H2,1-3H3
InChIKey IJLMEYVJKOAINJ-UHFFFAOYSA-N
Molecular Weight 329.414 g/mol
SMILES [nH]1c(c(c2cccc(c12)OS(c1ccc(cc1)C)(=O)=O)C)CC
SPLASH splash10-00di-0902000000-de19ecafaffacf920840
Source of Spectrum PS-54-59-36
Wiley ID 805221