| 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 |
