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Ethyl Ester of (S)-2-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-phenylpropionic Acid
SpectraBase Compound ID 1pE3sx1JYLY
InChI InChI=1S/C17H21NO2/c1-4-20-17(19)16(12-15-8-6-5-7-9-15)18-13(2)10-11-14(18)3/h5-11,16H,4,12H2,1-3H3/t16-/m0/s1
InChIKey IEVGJMSXTOBJIK-INIZCTEOSA-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 9dQeU22zKSu
Name Ethyl Ester of (S)-2-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-phenylpropionic Acid
Alternate Name(s) Ethyl Ester of 2-(2,5-Dimethyl-1H-pyrrol-1-yl)-3-phenylpropionic Acid (S)-ethyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)-3-phenylpropanoate
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Formula C17H21NO2
InChI InChI=1S/C17H21NO2/c1-4-20-17(19)16(12-15-8-6-5-7-9-15)18-13(2)10-11-14(18)3/h5-11,16H,4,12H2,1-3H3/t16-/m0/s1
InChIKey IEVGJMSXTOBJIK-INIZCTEOSA-N
Molecular Weight 271.360 g/mol
SMILES [C@]([n]1c(ccc1C)C)(C(=O)OCC)(Cc1ccccc1)[H]
SPLASH splash10-0007-9300000000-f2d8a30a0788c034703d
Source of Spectrum HC-47-191-1d
Wiley ID 1734055