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(Z)-4-(5-Chloro-3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one
SpectraBase Compound ID 9u00MqWVrJD
InChI InChI=1S/C25H20ClNO3S/c1-17-8-12-21(13-9-17)31(29,30)27-23-15-11-20(26)16-22(23)25(19-6-4-3-5-7-19)24(27)14-10-18(2)28/h3-16H,1-2H3/b14-10-
InChIKey QWAHBEMLYNOFSK-UVTDQMKNSA-N
Mol Weight 449.95 g/mol
Molecular Formula C25H20ClNO3S
Exact Mass 449.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1uw4fzFpKwJ
Name (Z)-4-(5-Chloro-3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClNO3S
InChI InChI=1S/C25H20ClNO3S/c1-17-8-12-21(13-9-17)31(29,30)27-23-15-11-20(26)16-22(23)25(19-6-4-3-5-7-19)24(27)14-10-18(2)28/h3-16H,1-2H3/b14-10-
InChIKey QWAHBEMLYNOFSK-UVTDQMKNSA-N
Literature Reference DOI 10.1021/acs.orglett.6b00805
Molecular Weight 449.952 g/mol
SMILES c1([n](c2ccc(cc2c1-c1ccccc1)Cl)S(c1ccc(cc1)C)(=O)=O)\C=C/C(C)=O
SPLASH splash10-0uxv-3090400000-d463f402c8ec60de826a
Source of Spectrum A1-18-2192/SM21-2k
Wiley ID 1805422