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4-(3-Oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID JLM78wcTbbq
InChI InChI=1S/C12H17NO3/c1-4-16-12(15)11-8(2)10(6-5-7-14)9(3)13-11/h7,13H,4-6H2,1-3H3
InChIKey UWJFLMBXNTWLRI-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UzZMOFFSjN
Name 4-(3-Oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-4-16-12(15)11-8(2)10(6-5-7-14)9(3)13-11/h7,13H,4-6H2,1-3H3
InChIKey UWJFLMBXNTWLRI-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES [nH]1c(c(c(c1C(=O)OCC)C)CCC=O)C
SPLASH splash10-00lr-1910000000-f535888618b4fff04699
Source of Spectrum SO-0-94-11
Synonyms Ethyl 3,5-dimethyl-4-(3-oxopropyl)-1H-pyrrole-2-carboxylate
Wiley ID 1611803