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1H-Pyrrole-3-carboxylic acid, 1-(aminocarbonyl)-2-methyl-, ethyl ester
SpectraBase Compound ID ExmIGmp1L2u
InChI InChI=1S/C9H12N2O3/c1-3-14-8(12)7-4-5-11(6(7)2)9(10)13/h4-5H,3H2,1-2H3,(H2,10,13)
InChIKey DBRNMEHLXHUECU-UHFFFAOYSA-N
Mol Weight 196.21 g/mol
Molecular Formula C9H12N2O3
Exact Mass 196.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LeapmRU1KPI
Name 1H-Pyrrole-3-carboxylic acid, 1-(aminocarbonyl)-2-methyl-, ethyl ester
CAS Registry Number 54449-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O3
InChI InChI=1S/C9H12N2O3/c1-3-14-8(12)7-4-5-11(6(7)2)9(10)13/h4-5H,3H2,1-2H3,(H2,10,13)
InChIKey DBRNMEHLXHUECU-UHFFFAOYSA-N
Molecular Weight 196.206 g/mol
SMILES NC([n]1c(c(cc1)C(=O)OCC)C)=O
SPLASH splash10-0pi0-1900000000-b9b69bca5bfaf2c7ff2e
Source of Spectrum I-55-902-0
Synonyms Ethyl 1-(aminocarbonyl)-2-methyl-1H-pyrrole-3-carboxylate Ethyl 1-carbamoyl-2-methylpyrrole-3-carboxylate
Wiley ID 1192647