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Benzyl 2-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID 2shYqsU2Lvy
InChI InChI=1S/C17H19NO2/c1-2-3-5-11-16-12-8-13-18(16)17(19)20-14-15-9-6-4-7-10-15/h2,4,6-10,12-13H,1,3,5,11,14H2
InChIKey VXOFJAYZZRLGLQ-UHFFFAOYSA-N
Mol Weight 269.34 g/mol
Molecular Formula C17H19NO2
Exact Mass 269.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4pNAQ0rikzA
Name Benzyl 2-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
Appearance Yellow oil
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Exact Mass 269.141578854 u
Formula C17H19NO2
InChI InChI=1S/C17H19NO2/c1-2-3-5-11-16-12-8-13-18(16)17(19)20-14-15-9-6-4-7-10-15/h2,4,6-10,12-13H,1,3,5,11,14H2
InChIKey VXOFJAYZZRLGLQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95 or API QSTAR PULSAR iLC/MS/TOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711439
Quality 81
Reported Formula C17H19NO2
SMILES C(OC(=O)N1C(=CC=C1)CCCC=C)C1=CC=CC=C1
SPLASH splash10-0006-9200000000-d7f27478d48bb1932908
Source of Spectrum ACI-57-SM6-2b.1 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.43 (EtOAc/hexane, 5%)
Wiley ID 1890663