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4-[(1S)-3-hydroxy-1-methyl-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 1Lkz8ZGfKaS
InChI InChI=1S/C13H21NO3/c1-5-17-13(16)12-9(3)11(10(4)14-12)8(2)6-7-15/h8,14-15H,5-7H2,1-4H3/t8-/m0/s1
InChIKey MDPRICNQDRCJOK-QMMMGPOBSA-N
Mol Weight 239.31 g/mol
Molecular Formula C13H21NO3
Exact Mass 239.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AETUxqb96b9
Name 4-[(1S)-3-hydroxy-1-methyl-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO3
InChI InChI=1S/C13H21NO3/c1-5-17-13(16)12-9(3)11(10(4)14-12)8(2)6-7-15/h8,14-15H,5-7H2,1-4H3/t8-/m0/s1
InChIKey MDPRICNQDRCJOK-QMMMGPOBSA-N
Molecular Weight 239.315 g/mol
SMILES OCC[C@@](c1c(c([nH]c1C)C(=O)OCC)C)(C)[H]
SPLASH splash10-0002-0910000000-8a8b777dd09b38c7d168
Source of Spectrum C-117-8733-13
Synonyms 3-[2',4'-Dimethyl-5'-(ethoxycarbonyl)-1H-pyrrol-3'-yl]-butanol 4-[(2S)-4-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 3,5-dimethyl-4-[(2S)-4-oxidanylbutan-2-yl]-1H-pyrrole-2-carboxylate Ethyl 4-[(2S)-4-hydroxybutan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Ethyl 4-[(1S)-3-hydroxy-1-methyl-propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 758977