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2,5-dimethylpyrrole-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 7THjPgODymy
InChI InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChIKey NOCOMGOGAJYTPH-UHFFFAOYSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGSjuv2BYSH
Name Ethyl 2,5-dimethylpyrrole-3-carboxylate
Appearance Colourless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 167.094628661 u
Formula C9H13NO2
GC Column J & W DB5 (30 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C9H13NO2/c1-4-12-9(11)8-5-6(2)10-7(8)3/h5,10H,4H2,1-3H3
InChIKey NOCOMGOGAJYTPH-UHFFFAOYSA-N
Instrument Name Kratos MS25RF or Varian Saturn 4D GC/MS
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0002.708
Quality 157
SMILES N1C(=CC(=C1C)C(=O)OCC)C
SPLASH splash10-00kr-0900000000-9e8ef7d28b284e820c78
Source of Spectrum ARK-2001-102-15f (DOI: 10.3998/ark.5550190.0002.708)
Wiley ID 1908827