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2-(Trimethylamonium)methyl-1-[2'-cyanobenzyl]pyrrole iodide
SpectraBase Compound ID CCsSNkGSXe7
InChI InChI=1S/C16H20N3.HI/c1-19(2,3)13-16-9-6-10-18(16)12-15-8-5-4-7-14(15)11-17;/h4-10H,12-13H2,1-3H3;1H/q+1;/p-1
InChIKey GNSHYCUQZRFQRY-UHFFFAOYSA-M
Mol Weight 381.26 g/mol
Molecular Formula C16H20IN3
Exact Mass 381.070193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3J2OeOVyIi
Name 2-(Trimethylamonium)methyl-1-[2'-cyanobenzyl]pyrrole iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20IN3
InChI InChI=1S/C16H20N3.HI/c1-19(2,3)13-16-9-6-10-18(16)12-15-8-5-4-7-14(15)11-17;/h4-10H,12-13H2,1-3H3;1H/q+1;/p-1
InChIKey GNSHYCUQZRFQRY-UHFFFAOYSA-M
Molecular Weight 381.261 g/mol
SMILES [I-].c1([n](ccc1)Cc1c(C#N)cccc1)C[N+](C)(C)C
SPLASH splash10-00kb-2900000000-2e1319a2eb4eadf9752b
Source of Spectrum Y-31-1319-9
Synonyms [1-[(2-cyanophenyl)methyl]-2-pyrrolyl]methyl-trimethylammonium;iodide [1-[(2-cyanophenyl)methyl]pyrrol-2-yl]methyl-trimethylazanium;iodide [1-[(2-cyanophenyl)methyl]pyrrol-2-yl]methyl-trimethyl-ammonium;iodide [1-[(2-cyanophenyl)methyl]pyrrol-2-yl]methyl-trimethyl-azanium;iodide
Wiley ID 761615