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1H-Indole, 3-t-butyl-2-phenyl-
SpectraBase Compound ID F80S9JgfMjh
InChI InChI=1S/C18H19N/c1-18(2,3)16-14-11-7-8-12-15(14)19-17(16)13-9-5-4-6-10-13/h4-12,19H,1-3H3
InChIKey ONKNNXATBGUOAT-UHFFFAOYSA-N
Mol Weight 249.36 g/mol
Molecular Formula C18H19N
Exact Mass 249.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IInfB2UxN8L
Name 1H-Indole, 3-t-butyl-2-phenyl-
CAS Registry Number 163064-89-9
Comments Less than 3 mono-isotopic peaks
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Formula C18H19N
InChI InChI=1S/C18H19N/c1-18(2,3)16-14-11-7-8-12-15(14)19-17(16)13-9-5-4-6-10-13/h4-12,19H,1-3H3
InChIKey ONKNNXATBGUOAT-UHFFFAOYSA-N
Molecular Weight 249.357 g/mol
SMILES [nH]1c2ccccc2c(c1-c1ccccc1)C(C)(C)C
SPLASH splash10-001i-0090000000-c83fbf262d5a6abc291a
Source of Spectrum J-59-5228-22
Synonyms 3-tert-Butyl-2-phenyl-1H-indole
Wiley ID 1252513