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(E)-3-((2Z,4E)-1,3-Bis(4-chlorophenyl)-4-(1,3,3-trimethylindolin-2-ylidene)but-2-en-1-ylidene)-1-tosylindolin-2-one
SpectraBase Compound ID 8kwnajlW3rp
InChI InChI=1S/C42H34Cl2N2O3S/c1-27-13-23-33(24-14-27)50(48,49)46-37-11-7-5-9-34(37)40(41(46)47)35(29-17-21-32(44)22-18-29)25-30(28-15-19-31(43)20-16-28)26-39-42(2,3)36-10-6-8-12-38(36)45(39)4/h5-26H,1-4H3/b30-25-,39-26-,40-35+
InChIKey GHRMXJDTHMLUME-YOHSMFLXSA-N
Mol Weight 717.7 g/mol
Molecular Formula C42H34Cl2N2O3S
Exact Mass 716.16672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ijBxg8YVex
Name (E)-3-((2Z,4E)-1,3-Bis(4-chlorophenyl)-4-(1,3,3-trimethylindolin-2-ylidene)but-2-en-1-ylidene)-1-tosylindolin-2-one
Appearance Bluish-black solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H34Cl2N2O3S
InChI InChI=1S/C42H34Cl2N2O3S/c1-27-13-23-33(24-14-27)50(48,49)46-37-11-7-5-9-34(37)40(41(46)47)35(29-17-21-32(44)22-18-29)25-30(28-15-19-31(43)20-16-28)26-39-42(2,3)36-10-6-8-12-38(36)45(39)4/h5-26H,1-4H3/b30-25-,39-26-,40-35+
InChIKey GHRMXJDTHMLUME-YOHSMFLXSA-N
Instrument Name Jeol JMS-700 or Finnigan TSQ 700
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.51
Molecular Weight 717.711 g/mol
SMILES c1cccc2c1N(\C(C2(C)C)=C\C(=C\C(=C/1C(N(c2c1cccc2)S(c1ccc(cc1)C)(=O)=O)=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl)C
SPLASH splash10-03di-0910100000-f54f06b9a39418b7136b
Source of Spectrum BJO-10-SM15-10f
Wiley ID 1854120