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phenyl 2-pent-4-enylpyrrole-1-carboxylate
SpectraBase Compound ID FPkPbHMUQBm
InChI InChI=1S/C16H17NO2/c1-2-3-5-9-14-10-8-13-17(14)16(18)19-15-11-6-4-7-12-15/h2,4,6-8,10-13H,1,3,5,9H2
InChIKey UJQKSDOAYHDUOR-UHFFFAOYSA-N
Mol Weight 255.32 g/mol
Molecular Formula C16H17NO2
Exact Mass 255.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 70Tj14SLpZV
Name phenyl 2-pent-4-enylpyrrole-1-carboxylate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 255.125928789 u
Formula C16H17NO2
InChI InChI=1S/C16H17NO2/c1-2-3-5-9-14-10-8-13-17(14)16(18)19-15-11-6-4-7-12-15/h2,4,6-8,10-13H,1,3,5,9H2
InChIKey UJQKSDOAYHDUOR-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 255.317 g/mol
Quality 80
Reported Formula C16H17NO2
SMILES C1(OC(=O)N2C(=CC=C2)CCCC=C)=CC=CC=C1
SPLASH splash10-0zfr-0290000000-420cfdb5a5a20bed913c
Source of Spectrum ACI-57-SM6-2b.1' (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.49 (EtOAc/hexane, 5%)
Wiley ID 1890662