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1-Benzyl-2-(pent-4-en-1-yl)-1H-pyrrole

View entire compound with spectra: 1 MS (GC)

1-Benzyl-2-(pent-4-en-1-yl)-1H-pyrrole
SpectraBase Compound ID ALPzvTqnt6T
InChI InChI=1S/C16H19N/c1-2-3-5-11-16-12-8-13-17(16)14-15-9-6-4-7-10-15/h2,4,6-10,12-13H,1,3,5,11,14H2
InChIKey HENYGTIWOPXEDG-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C16H19N
Exact Mass 225.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQbUR3CxkHb
Name 1-Benzyl-2-(pent-4-en-1-yl)-1H-pyrrole
Appearance Pale yellow oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.151749616 u
Formula C16H19N
InChI InChI=1S/C16H19N/c1-2-3-5-11-16-12-8-13-17(16)14-15-9-6-4-7-10-15/h2,4,6-10,12-13H,1,3,5,11,14H2
InChIKey HENYGTIWOPXEDG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711439
Molecular Weight 225.335 g/mol
Quality 86
Reported Formula C16H19N
SMILES C(N1C(=CC=C1)CCCC=C)C1=CC=CC=C1
SPLASH splash10-00dl-6940000000-a624bc4c828057d44965
Source of Spectrum ACI-57-SM11-2g.1 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.57 (EtOAc/hexane, 5%)
Wiley ID 1890682