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tert-Butyl 2-ethyl-5-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
SpectraBase Compound ID GWGFiJTxfl9
InChI InChI=1S/C16H25NO2/c1-6-8-9-10-14-12-11-13(7-2)17(14)15(18)19-16(3,4)5/h6,11-12H,1,7-10H2,2-5H3
InChIKey VSOUUTOKORCFIE-UHFFFAOYSA-N
Mol Weight 263.38 g/mol
Molecular Formula C16H25NO2
Exact Mass 263.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID zaGURPSC7r
Name tert-Butyl 2-ethyl-5-(pent-4-en-1-yl)-1H-pyrrole-1-carboxylate
Appearance Pale yellow oil
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Formula C16H25NO2
InChI InChI=1S/C16H25NO2/c1-6-8-9-10-14-12-11-13(7-2)17(14)15(18)19-16(3,4)5/h6,11-12H,1,7-10H2,2-5H3
InChIKey VSOUUTOKORCFIE-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 263.381 g/mol
Quality 95
Reported Formula C16H25NO2
SMILES C(CC1=CC=C(N1C(OC(C)(C)C)=O)CC)CC=C
SPLASH splash10-0a4i-0930000000-3630c46920a7964931c8
Source of Spectrum ACI-57-SM43-2j.3 (DOI: 10.1002/anie.201711439)
Thin-Layer Chromatography 0.88 (EtOAc/hexane, 5%)
Wiley ID 1890694