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Ethyl 7-pentyl-1-phenylsulfonylindole-6-carboxylate
SpectraBase Compound ID JXkcxtckX8N
InChI InChI=1S/C22H25NO4S/c1-3-5-7-12-19-20(22(24)27-4-2)14-13-17-15-16-23(21(17)19)28(25,26)18-10-8-6-9-11-18/h6,8-11,13-16H,3-5,7,12H2,1-2H3
InChIKey WDPGRVUWLATRST-UHFFFAOYSA-N
Mol Weight 399.51 g/mol
Molecular Formula C22H25NO4S
Exact Mass 399.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrMS2ehdE1Q
Name Ethyl 7-pentyl-1-phenylsulfonylindole-6-carboxylate
Alternate Name(s) Ethyl 7-pentyl-1-(phenylsulfonyl)-1H-indole-6-carboxylate
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Formula C22H25NO4S
InChI InChI=1S/C22H25NO4S/c1-3-5-7-12-19-20(22(24)27-4-2)14-13-17-15-16-23(21(17)19)28(25,26)18-10-8-6-9-11-18/h6,8-11,13-16H,3-5,7,12H2,1-2H3
InChIKey WDPGRVUWLATRST-UHFFFAOYSA-N
Molecular Weight 399.505 g/mol
SMILES c12[n](S(=O)(=O)c3ccccc3)ccc2ccc(c1CCCCC)C(=O)OCC
SPLASH splash10-0udj-2229200000-858f65113e935eb03521
Source of Spectrum F-48-7459-11
Wiley ID 1368971