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(E)-Ethyl 6-Bromo-7-cyanomethylidene-4,5,6,7-tetrahydroindole-2-carboxylate
SpectraBase Compound ID AVl05BvhFRb
InChI InChI=1S/C13H13BrN2O2/c1-2-18-13(17)11-7-8-3-4-10(14)9(5-6-15)12(8)16-11/h5,7,10,16H,2-4H2,1H3/b9-5-
InChIKey ZIRNANYYWURVIE-UITAMQMPSA-N
Mol Weight 309.16 g/mol
Molecular Formula C13H13BrN2O2
Exact Mass 308.016041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JhlJZFxXWp6
Name (E)-Ethyl 6-Bromo-7-cyanomethylidene-4,5,6,7-tetrahydroindole-2-carboxylate
Alternate Name(s) ethyl (7E)-6-bromo-7-(cyanomethylene)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C13H13BrN2O2
InChI InChI=1S/C13H13BrN2O2/c1-2-18-13(17)11-7-8-3-4-10(14)9(5-6-15)12(8)16-11/h5,7,10,16H,2-4H2,1H3/b9-5-
InChIKey ZIRNANYYWURVIE-UITAMQMPSA-N
Molecular Weight 309.163 g/mol
SMILES [nH]1c(cc2CCC(\C(c12)=C/C#N)Br)C(=O)OCC
SPLASH splash10-053r-0709000000-190f50231361875d56f6
Source of Spectrum E1-44-60-24
Wiley ID 1553219