| SpectraBase Spectrum ID |
DjkD1kozek4 |
| Name |
3-(1H-Pyrol-3-yl)-2-propenoic acid ethyl ester |
| CAS Registry Number |
123530-69-8 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
165.078978596 u |
| Formula |
C9H11NO2 |
| InChI |
InChI=1S/C9H11NO2/c1-2-12-9(11)4-3-8-5-6-10-7-8/h3-7,10H,2H2,1H3/b4-3+ |
| InChIKey |
FEUSMSPMLTYKRZ-ONEGZZNKSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
165.192 g/mol |
| Nominal Mass |
165 u |
| Quality |
992 |
| Retention Index |
1293 |
| SMILES |
C1(=CNC=C1)\C=C\C(OCC)=O |
| SPLASH |
splash10-00xr-3900000000-42e7f223f4fb4f2a4844 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl (2E)-3-(1H-pyrrol-3-yl)prop-2-enoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005684 |
