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2-(Trimethylamonium)methyl-1-[(2'-methoxycarbonyl)phenyl]pyrrole iodide
SpectraBase Compound ID FUXz2wtNt5H
InChI InChI=1S/C16H21N2O2.HI/c1-18(2,3)12-13-8-7-11-17(13)15-10-6-5-9-14(15)16(19)20-4;/h5-11H,12H2,1-4H3;1H/q+1;/p-1
InChIKey ZGXGJKWXNMCQPZ-UHFFFAOYSA-M
Mol Weight 400.26 g/mol
Molecular Formula C16H21IN2O2
Exact Mass 400.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvN4TlX5eCt
Name 2-(Trimethylamonium)methyl-1-[(2'-methoxycarbonyl)phenyl]pyrrole iodide
Alternate Name(s) [1-(2-methoxycarbonylphenyl)-2-pyrrolyl]methyl-trimethylammonium;iodide [1-(2-methoxycarbonylphenyl)pyrrol-2-yl]methyl-trimethylazanium;iodide [1-(2-methoxycarbonylphenyl)pyrrol-2-yl]methyl-trimethyl-ammonium;iodide [1-(2-methoxycarbonylphenyl)pyrrol-2-yl]methyl-trimethyl-azanium;iodide
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Formula C16H21IN2O2
InChI InChI=1S/C16H21N2O2.HI/c1-18(2,3)12-13-8-7-11-17(13)15-10-6-5-9-14(15)16(19)20-4;/h5-11H,12H2,1-4H3;1H/q+1;/p-1
InChIKey ZGXGJKWXNMCQPZ-UHFFFAOYSA-M
Molecular Weight 400.260 g/mol
SMILES [I-].c1(-[n]2c(C[N+](C)(C)C)ccc2)c(C(=O)OC)cccc1
SPLASH splash10-053r-9700000000-6b0aa32dd46c8dac2626
Source of Spectrum Y-31-1319-3
Wiley ID 761618