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Ethyl 2-(pent-4-en-1-yl)-1H-pyrrole-3-carboxylate
SpectraBase Compound ID Hu6sD2YJQWm
InChI InChI=1S/C12H17NO2/c1-3-5-6-7-11-10(8-9-13-11)12(14)15-4-2/h3,8-9,13H,1,4-7H2,2H3
InChIKey PMLMZLFTTNXVBG-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ldxTvNLb94
Name Ethyl 2-(pent-4-en-1-yl)-1H-pyrrole-3-carboxylate
Appearance Yellow oil
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Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-3-5-6-7-11-10(8-9-13-11)12(14)15-4-2/h3,8-9,13H,1,4-7H2,2H3
InChIKey PMLMZLFTTNXVBG-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 207.273 g/mol
Quality 100
Reported Formula C12H17NO2
SMILES N1C(=C(C=C1)C(OCC)=O)CCCC=C
SPLASH splash10-0kmi-0910000000-8a04415f43bcf3db5859
Source of Spectrum ACI-57-SM73-11 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.32 (acetone/hexane, 15%)
Wiley ID 1890655