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1H-Pyrrole-2,5-dione, 3-ethyl-4-methyl-
SpectraBase Compound ID h6EpLPvWJ3
InChI InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
InChIKey CUBICSJJYOPOIA-UHFFFAOYSA-N
Mol Weight 139.15 g/mol
Molecular Formula C7H9NO2
Exact Mass 139.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYudnCYaBAe
Name 3-Ethyl-4-methyl-1H-pyrrole-2,5-dione
CAS Registry Number 20189-42-8
Classification Pharmaceutical drug intermediate
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 139.063328532 u
Formula C7H9NO2
InChI InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)
InChIKey CUBICSJJYOPOIA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 139.154 g/mol
Nominal Mass 139 u
Quality 800
Retention Index 1105
SMILES C1(=C(C(NC1=O)=O)C)CC
SPLASH splash10-014r-9400000000-a8302db949f4a6b637f6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-ethyl-4-methyl-1H-pyrrole-2,5-dione
Technique GC/MS
Wiley ID DD2024_008756