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N-(5-nitro-1H-indol-2-ylmethyl)-2-iodoaniline
SpectraBase Compound ID 2EwBtApRoBG
InChI InChI=1S/C15H12IN3O2/c16-13-3-1-2-4-15(13)17-9-11-7-10-8-12(19(20)21)5-6-14(10)18-11/h1-8,17-18H,9H2
InChIKey OUOKCQQUVXKTOS-UHFFFAOYSA-N
Mol Weight 393.18 g/mol
Molecular Formula C15H12IN3O2
Exact Mass 392.997422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oKjU7fUn2
Name N-(5-nitro-1H-indol-2-ylmethyl)-2-iodoaniline
Appearance Yellow solid
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Formula C15H12IN3O2
InChI InChI=1S/C15H12IN3O2/c16-13-3-1-2-4-15(13)17-9-11-7-10-8-12(19(20)21)5-6-14(10)18-11/h1-8,17-18H,9H2
InChIKey OUOKCQQUVXKTOS-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.9.285
Molecular Weight 393.184 g/mol
Reported Formula C15H12IN3O2
SMILES [nH]1c(CNc2c(cccc2)I)cc2cc([N+](=O)[O-])ccc12
SPLASH splash10-016r-0691000000-f3a8c5f71d32c679f1c4
Source of Spectrum BJO-9-SM4-1e
Wiley ID 1853782