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4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-iodobenzonitrile

View entire compound with spectra: 1 MS (GC)

4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-iodobenzonitrile
SpectraBase Compound ID Fz2WZQkkPsY
InChI InChI=1S/C13H11IN2/c1-9-3-4-10(2)16(9)13-6-5-11(8-15)7-12(13)14/h3-7H,1-2H3
InChIKey RHGDRKICCKUESL-UHFFFAOYSA-N
Mol Weight 322.15 g/mol
Molecular Formula C13H11IN2
Exact Mass 321.996693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AU4YsmFearn
Name 4-(2,5-dimethyl-1H-pyrrol-1-yl)-3-iodobenzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11IN2
InChI InChI=1S/C13H11IN2/c1-9-3-4-10(2)16(9)13-6-5-11(8-15)7-12(13)14/h3-7H,1-2H3
InChIKey RHGDRKICCKUESL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200600398
Molecular Weight 322.149 g/mol
SMILES c1(ccc(-[n]2c(ccc2C)C)c(c1)I)C#N
SPLASH splash10-00di-0109000000-906495d3634d6bca171b
Source of Spectrum CAJ-2-424-6d
Wiley ID 1774943