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Methyl 2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID A5RMT7ohNgD
InChI InChI=1S/C14H15NO2/c1-9-12(11-7-5-4-6-8-11)13(10(2)15-9)14(16)17-3/h4-8,15H,1-3H3
InChIKey WHIISYUHGILSKQ-UHFFFAOYSA-N
Mol Weight 229.28 g/mol
Molecular Formula C14H15NO2
Exact Mass 229.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sNa3XDw75t
Name Methyl 2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
Appearance Pale yellow solid
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Formula C14H15NO2
GC Oven Program Oven temp 300oC or 320oC
InChI InChI=1S/C14H15NO2/c1-9-12(11-7-5-4-6-8-11)13(10(2)15-9)14(16)17-3/h4-8,15H,1-3H3
InChIKey WHIISYUHGILSKQ-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Varian CP-3800-Saturn 2000 or Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810555
Molecular Weight 229.279 g/mol
Quality 116
Reported Formula C14H15NO2
SMILES N1C(=C(C(=C1C)C(OC)=O)C1=CC=CC=C1)C
SPLASH splash10-004i-0590000000-01111f8c16cebeaa70a1
Source of Spectrum ACI-57-SM15-7b (DOI: 10.1002/anie.201810555)
Wiley ID 1893658