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3-(4-Chlorophenyl)-4,6-dimethoxy-1-(toluene-4-sulfonyl)indole
SpectraBase Compound ID CB6NJAHreAC
InChI InChI=1S/C23H20ClNO4S/c1-15-4-10-19(11-5-15)30(26,27)25-14-20(16-6-8-17(24)9-7-16)23-21(25)12-18(28-2)13-22(23)29-3/h4-14H,1-3H3
InChIKey WFHWXAKYQPMFFP-UHFFFAOYSA-N
Mol Weight 441.93 g/mol
Molecular Formula C23H20ClNO4S
Exact Mass 441.080157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VD5JbI6Aex
Name 3-(4-Chlorophenyl)-4,6-dimethoxy-1-(toluene-4-sulfonyl)indole
Appearance Ochre solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20ClNO4S
InChI InChI=1S/C23H20ClNO4S/c1-15-4-10-19(11-5-15)30(26,27)25-14-20(16-6-8-17(24)9-7-16)23-21(25)12-18(28-2)13-22(23)29-3/h4-14H,1-3H3
InChIKey WFHWXAKYQPMFFP-UHFFFAOYSA-N
Instrument Name Shimadzu LCMS QP 8000
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.405
Molecular Weight 441.929 g/mol
SMILES c1(Cl)ccc(cc1)-c1c[n](c2c1c(cc(c2)OC)OC)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000l-4090000000-2a9abd330fc05ec8b7a2
Source of Spectrum ARK-2021-9-8
Wiley ID 1873128