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N-(1H-indol-2-ylmethyl)-4-trifluoromethyl-2-iodoaniline
SpectraBase Compound ID JK0QogokJCT
InChI InChI=1S/C16H12F3IN2/c17-16(18,19)11-5-6-15(13(20)8-11)21-9-12-7-10-3-1-2-4-14(10)22-12/h1-8,21-22H,9H2
InChIKey HTKRSPUXEJAHIO-UHFFFAOYSA-N
Mol Weight 416.19 g/mol
Molecular Formula C16H12F3IN2
Exact Mass 415.999728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH1r5zCtQ9W
Name N-(1H-indol-2-ylmethyl)-4-trifluoromethyl-2-iodoaniline
Appearance White solid
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Formula C16H12F3IN2
InChI InChI=1S/C16H12F3IN2/c17-16(18,19)11-5-6-15(13(20)8-11)21-9-12-7-10-3-1-2-4-14(10)22-12/h1-8,21-22H,9H2
InChIKey HTKRSPUXEJAHIO-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.285
Molecular Weight 416.186 g/mol
Reported Formula C16H12F3IN2
SMILES [nH]1c(CNc2c(cc(cc2)C(F)(F)F)I)cc2c1cccc2
SPLASH splash10-001i-0910100000-2a8cd945a25fd53334a2
Source of Spectrum BJO-9-SM5-1i
Wiley ID 1853786