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2,4-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolecarboxylic acid ethyl ester
SpectraBase Compound ID CpEgBooSpRJ
InChI InChI=1S/C17H21NO2/c1-5-20-17(19)16-12(2)11-18(14(16)4)13(3)15-9-7-6-8-10-15/h6-11,13H,5H2,1-4H3/t13-/m1/s1
InChIKey IHYWMXXGJKLSFF-CYBMUJFWSA-N
Mol Weight 271.36 g/mol
Molecular Formula C17H21NO2
Exact Mass 271.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pBPfRC59Ah
Name 2,4-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolecarboxylic acid ethyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-5-20-17(19)16-12(2)11-18(14(16)4)13(3)15-9-7-6-8-10-15/h6-11,13H,5H2,1-4H3/t13-/m1/s1
InChIKey IHYWMXXGJKLSFF-CYBMUJFWSA-N
Molecular Weight 271.360 g/mol
SMILES c1([n](cc(c1C(=O)OCC)C)[C@@](c1ccccc1)(C)[H])C
SPLASH splash10-0a4i-0940000000-c520cc09501fa4a5662b
Source of Spectrum J-65-4598-10
Synonyms 2,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxylic acid ethyl ester ethyl 2,4-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carboxylate
Wiley ID 1532835