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1-(2-phenylethyl)pyrrole
SpectraBase Compound ID 8GX83u9uOeD
InChI InChI=1S/C12H13N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h1-7,9-10H,8,11H2
InChIKey KKCMGDGJMRZKJP-UHFFFAOYSA-N
Mol Weight 171.24 g/mol
Molecular Formula C12H13N
Exact Mass 171.104799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XcuYOrSmq7
Name N-(2-phenylethyl)pyrrole
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N
InChI InChI=1S/C12H13N/c1-2-6-12(7-3-1)8-11-13-9-4-5-10-13/h1-7,9-10H,8,11H2
InChIKey KKCMGDGJMRZKJP-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/cbic.202000503
Molecular Weight 171.243 g/mol
SMILES c1cc(ccc1)CC[n]1cccc1
SPLASH splash10-0089-9500000000-4175342fecacecbb6ffc
Source of Spectrum CBC-21-3611-56
Thin-Layer Chromatography Rf = 0.46 ((cyclohexane/ethyl acetate, 20:1)
Wiley ID 1855996