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1-Benzyl-5-cyano-1H-indol-3-yl acetate
SpectraBase Compound ID JSFpEnmf8p2
InChI InChI=1S/C18H14N2O2/c1-13(21)22-18-12-20(11-14-5-3-2-4-6-14)17-8-7-15(10-19)9-16(17)18/h2-9,12H,11H2,1H3
InChIKey ZSTCGNRGJKZQHY-UHFFFAOYSA-N
Mol Weight 290.32 g/mol
Molecular Formula C18H14N2O2
Exact Mass 290.105528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YmVf1vHGpp
Name 1-Benzyl-5-cyano-1H-indol-3-yl acetate
Alternate Name(s) Acetic acid [5-cyano-1-(phenylmethyl)-3-indolyl] ester (1-benzyl-5-cyanoindol-3-yl) acetate (1-benzyl-5-cyano-indol-3-yl) acetate [5-cyano-1-(phenylmethyl)indol-3-yl] ethanoate
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Formula C18H14N2O2
InChI InChI=1S/C18H14N2O2/c1-13(21)22-18-12-20(11-14-5-3-2-4-6-14)17-8-7-15(10-19)9-16(17)18/h2-9,12H,11H2,1H3
InChIKey ZSTCGNRGJKZQHY-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo101584k
Molecular Weight 290.322 g/mol
SMILES c1(ccc2c(c1)c(OC(C)=O)c[n]2Cc1ccccc1)C#N
SPLASH splash10-0007-9060000000-b1f350edaba9ba2e2c3b
Source of Spectrum J-76-83-Table2,entry4
Wiley ID 1744654