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Dimethyl 7-pentyl-1-phenylsulfonylindole-5,6-dicarboxylate
SpectraBase Compound ID 4jWFfWDDT5y
InChI InChI=1S/C23H25NO6S/c1-4-5-7-12-18-20(23(26)30-3)19(22(25)29-2)15-16-13-14-24(21(16)18)31(27,28)17-10-8-6-9-11-17/h6,8-11,13-15H,4-5,7,12H2,1-3H3
InChIKey SCYPLLUNQWSOHI-UHFFFAOYSA-N
Mol Weight 443.51 g/mol
Molecular Formula C23H25NO6S
Exact Mass 443.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcStDobXhwt
Name Dimethyl 7-pentyl-1-phenylsulfonylindole-5,6-dicarboxylate
Alternate Name(s) Dimethyl 7-pentyl-1-(phenylsulfonyl)-1H-indole-5,6-dicarboxylate
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Formula C23H25NO6S
InChI InChI=1S/C23H25NO6S/c1-4-5-7-12-18-20(23(26)30-3)19(22(25)29-2)15-16-13-14-24(21(16)18)31(27,28)17-10-8-6-9-11-17/h6,8-11,13-15H,4-5,7,12H2,1-3H3
InChIKey SCYPLLUNQWSOHI-UHFFFAOYSA-N
Molecular Weight 443.514 g/mol
SMILES c12[n](S(=O)(=O)c3ccccc3)ccc2cc(c(c1CCCCC)C(=O)OC)C(=O)OC
SPLASH splash10-0292-3935800000-212dd0d847606c5fbf8c
Source of Spectrum F-48-7458-10
Wiley ID 1385706