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5-{2-[(p-chlorophenyl)-N-methyl-indol-3-yl]-ethenyl}(3-methyl-4-nitro)isoxazole
SpectraBase Compound ID 7S3z9IrWXCu
InChI InChI=1S/C21H16ClN3O3/c1-13-20(25(26)27)19(28-23-13)12-11-17-16-5-3-4-6-18(16)24(2)21(17)14-7-9-15(22)10-8-14/h3-12H,1-2H3/b12-11+
InChIKey DIKGFNZCWUVPRG-VAWYXSNFSA-N
Mol Weight 393.83 g/mol
Molecular Formula C21H16ClN3O3
Exact Mass 393.088019 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JZ3wiqps7dp
Name 5-{2-[(p-chlorophenyl)-N-methyl-indol-3-yl]-ethenyl}(3-methyl-4-nitro)isoxazole
Alternate Name(s) 2-(4-Chlorophenyl)-1-methyl-3-[(E)-2-(3-methyl-4-nitro-5-isoxazolyl)ethenyl]-1H-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClN3O3
InChI InChI=1S/C21H16ClN3O3/c1-13-20(25(26)27)19(28-23-13)12-11-17-16-5-3-4-6-18(16)24(2)21(17)14-7-9-15(22)10-8-14/h3-12H,1-2H3/b12-11+
InChIKey DIKGFNZCWUVPRG-VAWYXSNFSA-N
Molecular Weight 393.830 g/mol
SMILES c1([n](c2c(c1\C=C\c1c(N(=O)=O)c(C)no1)cccc2)C)-c1ccc(cc1)Cl
SPLASH splash10-0006-0039000000-d977a6ff763d8382f6eb
Source of Spectrum O-27-901-0
Wiley ID 1366251