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3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 7KQJclJ0h2L
InChI InChI=1S/C13H13NO2/c1-2-16-13(15)12-11(8-9-14-12)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3
InChIKey CABKYOUETSTTNE-UHFFFAOYSA-N
Mol Weight 215.25 g/mol
Molecular Formula C13H13NO2
Exact Mass 215.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jz59iCfQmAS
Name 3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester
Alternate Name(s) ethyl 3-phenyl-1H-pyrrole-2-carboxylate
CAS Registry Number 21390-88-5
Comments Less than 3 mono-isotopic peaks
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Formula C13H13NO2
InChI InChI=1S/C13H13NO2/c1-2-16-13(15)12-11(8-9-14-12)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3
InChIKey CABKYOUETSTTNE-UHFFFAOYSA-N
Molecular Weight 215.252 g/mol
SMILES [nH]1ccc(c1C(=O)OCC)-c1ccccc1
SPLASH splash10-014i-0960000000-22f12e828b0966017768
Source of Spectrum KC-1990-2684-4
Wiley ID 1214672