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2-(5-Bromo-1H-indol-3-yl)-2-methylpropanenitrile
SpectraBase Compound ID 8SQusUf2BOZ
InChI InChI=1S/C12H11BrN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3
InChIKey LETCNCKDAVPQIY-UHFFFAOYSA-N
Mol Weight 263.14 g/mol
Molecular Formula C12H11BrN2
Exact Mass 262.010561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dhWg2rrhA
Name 2-(5-Bromo-1H-indol-3-yl)-2-methylpropanenitrile
Appearance Brown liquid
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Formula C12H11BrN2
InChI InChI=1S/C12H11BrN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3
InChIKey LETCNCKDAVPQIY-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 263.138 g/mol
Reported Formula C12H11BrN2
SMILES [nH]1cc(c2c1ccc(c2)Br)C(C#N)(C)C
SPLASH splash10-0002-0390000000-13c38b9f7c9572f536cb
Source of Spectrum JOC-86-8395-3fa
Wiley ID 1867817