| SpectraBase Spectrum ID |
BgTQNU7ZllT |
| Name |
3-Hydroxyl-3-(5-ethyl-pyrrol-2-yl)-4,4,4-trifluorobutanoic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16F3NO3 |
| InChI |
InChI=1S/C12H16F3NO3/c1-3-8-5-6-9(16-8)11(18,12(13,14)15)7-10(17)19-4-2/h5-6,16,18H,3-4,7H2,1-2H3 |
| InChIKey |
ZHGSPMOBSACZRJ-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/cmdc.201100569 |
| Molecular Weight |
279.259 g/mol |
| SMILES |
[nH]1c(ccc1C(CC(OCC)=O)(C(F)(F)F)O)CC |
| SPLASH |
splash10-00di-0930000000-cd0d80b0fca8ed0f7a25 |
| Source of Spectrum |
CMC-7-910/SM15-61 |
| Synonyms |
Ethyl 3-(5-ethyl-1H-pyrrol-2-yl)-4,4,4-trifluoro-3-hydroxybutanoate |
| Wiley ID |
1771821 |
