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Butyl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
SpectraBase Compound ID 4RWwPgFe8d7
InChI InChI=1S/C19H21NO4S/c1-3-4-13-24-25(21,22)19-14-20(18-8-6-5-7-17(18)19)15-9-11-16(23-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3
InChIKey SLAMGMOQNLAODO-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C19H21NO4S
Exact Mass 359.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CS4e4fzoeop
Name Butyl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 359.119129330 u
Formula C19H21NO4S
InChI InChI=1S/C19H21NO4S/c1-3-4-13-24-25(21,22)19-14-20(18-8-6-5-7-17(18)19)15-9-11-16(23-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3
InChIKey SLAMGMOQNLAODO-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 359.440 g/mol
Quality 86
Reported Formula C19H21NO4S
SMILES C1(S(OCCCC)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=C(C=C1)OC
SPLASH splash10-056r-0598000000-6b358734eab9a22524d3
Source of Spectrum ACI-56-SM27-3c (DOI: 10.1002/anie.201612565)
Wiley ID 1895542