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Ethyl-4-(N-benzenesulphonyl-1H-indol-3-yl)-6-(p-chlorophenyl)-2-oxo-cyclohexa-3-enecarboxylate
SpectraBase Compound ID J2ipqhSYsF1
InChI InChI=1S/C29H24ClNO5S/c1-2-36-29(33)28-24(19-12-14-21(30)15-13-19)16-20(17-27(28)32)25-18-31(26-11-7-6-10-23(25)26)37(34,35)22-8-4-3-5-9-22/h3-15,17-18,24,28H,2,16H2,1H3
InChIKey ZXIKIYHDKWFWSJ-UHFFFAOYSA-N
Mol Weight 534.03 g/mol
Molecular Formula C29H24ClNO5S
Exact Mass 533.106372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hn2bza8PS42
Name Ethyl-4-(N-benzenesulphonyl-1H-indol-3-yl)-6-(p-chlorophenyl)-2-oxo-cyclohexa-3-enecarboxylate
Appearance Solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24ClNO5S
InChI InChI=1S/C29H24ClNO5S/c1-2-36-29(33)28-24(19-12-14-21(30)15-13-19)16-20(17-27(28)32)25-18-31(26-11-7-6-10-23(25)26)37(34,35)22-8-4-3-5-9-22/h3-15,17-18,24,28H,2,16H2,1H3
InChIKey ZXIKIYHDKWFWSJ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2012.04.003
Molecular Weight 534.026 g/mol
SMILES c1[n](S(c2ccccc2)(=O)=O)c2c(c1C1=CC(C(C(C1)c1ccc(cc1)Cl)C(OCC)=O)=O)cccc2
SPLASH splash10-0a4i-9000010000-282363e9561181bf43ef
Source of Spectrum AJC-6-70-11b
Wiley ID 1856994