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Ethyl 2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 50Kcq5DFTK0
InChI InChI=1S/C15H17NO2/c1-4-18-15(17)14-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3
InChIKey ZCNBRDSMDNYLAQ-UHFFFAOYSA-N
Mol Weight 243.31 g/mol
Molecular Formula C15H17NO2
Exact Mass 243.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hsCmpdplo1
Name Ethyl 2,5-dimethyl-4-phenyl-1H-pyrrole-3-carboxylate
Appearance Pale yellow solid
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Exact Mass 243.125928789 u
Formula C15H17NO2
GC Oven Program Oven temp 320oC
InChI InChI=1S/C15H17NO2/c1-4-18-15(17)14-11(3)16-10(2)13(14)12-8-6-5-7-9-12/h5-9,16H,4H2,1-3H3
InChIKey ZCNBRDSMDNYLAQ-UHFFFAOYSA-N
Inlet Type Split
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201810555
Molecular Weight 243.306 g/mol
Quality 95
Reported Formula C15H17NO2
SMILES N1C(=C(C(=C1C)C(OCC)=O)C1=CC=CC=C1)C
SPLASH splash10-01ox-0290000000-59fd1672af0c2831a493
Source of Spectrum ACI-57-SM8-7a (DOI: 10.1002/anie.201810555)
Wiley ID 1893657