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Phenethyl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
SpectraBase Compound ID KEoN9UhXYRF
InChI InChI=1S/C23H21NO4S/c1-27-20-13-11-19(12-14-20)24-17-23(21-9-5-6-10-22(21)24)29(25,26)28-16-15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3
InChIKey AHOQOXOXTMYQOY-UHFFFAOYSA-N
Mol Weight 407.48 g/mol
Molecular Formula C23H21NO4S
Exact Mass 407.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rOS1ynWv9k
Name Phenethyl 1-(4-methoxyphenyl)-1H-indole-3-sulfonate
Appearance White solid
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Exact Mass 407.119129330 u
Formula C23H21NO4S
InChI InChI=1S/C23H21NO4S/c1-27-20-13-11-19(12-14-20)24-17-23(21-9-5-6-10-22(21)24)29(25,26)28-16-15-18-7-3-2-4-8-18/h2-14,17H,15-16H2,1H3
InChIKey AHOQOXOXTMYQOY-UHFFFAOYSA-N
Instrument Name Agilent 5975N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201612565
Molecular Weight 407.484 g/mol
Reported Formula C23H21NO4S
SMILES C1(S(OCCC2=CC=CC=C2)(=O)=O)=CN(C2=C1C=CC=C2)C1=CC=C(C=C1)OC
SPLASH splash10-0ab9-0092000000-a799903a76c4155affee
Source of Spectrum ACI-56-SM29-3f (DOI: 10.1002/anie.201612565)
Wiley ID 1895544