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2-(Trimethylamonium)methyl-1-[(2'-ethoxycarbonyl)benzyl]pyrrole iodide

View entire compound with spectra: 1 MS (GC)

2-(Trimethylamonium)methyl-1-[(2'-ethoxycarbonyl)benzyl]pyrrole iodide
SpectraBase Compound ID H5ItBUM1m4B
InChI InChI=1S/C18H25N2O2.HI/c1-5-22-18(21)17-11-7-6-9-15(17)13-19-12-8-10-16(19)14-20(2,3)4;/h6-12H,5,13-14H2,1-4H3;1H/q+1;/p-1
InChIKey KNEFASGNLIAHLO-UHFFFAOYSA-M
Mol Weight 428.31 g/mol
Molecular Formula C18H25IN2O2
Exact Mass 428.096073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy3zTXFvZWH
Name 2-(Trimethylamonium)methyl-1-[(2'-ethoxycarbonyl)benzyl]pyrrole iodide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25IN2O2
InChI InChI=1S/C18H25N2O2.HI/c1-5-22-18(21)17-11-7-6-9-15(17)13-19-12-8-10-16(19)14-20(2,3)4;/h6-12H,5,13-14H2,1-4H3;1H/q+1;/p-1
InChIKey KNEFASGNLIAHLO-UHFFFAOYSA-M
Molecular Weight 428.314 g/mol
SMILES [I-].c1([n](ccc1)Cc1c(C(=O)OCC)cccc1)C[N+](C)(C)C
SPLASH splash10-0006-1590000000-b743f9652561c16bf234
Source of Spectrum Y-31-1319-9
Wiley ID 761612