| SpectraBase Spectrum ID |
30vamFUicHU |
| Name |
1-(4-(3-(Trifluoromethyl)pyridin-2-yl)piperazin-1-yl)but-3-en-1-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.124546635 u |
| Formula |
C14H16F3N3O |
| InChI |
InChI=1S/C14H16F3N3O/c1-2-4-12(21)19-7-9-20(10-8-19)13-11(14(15,16)17)5-3-6-18-13/h2-3,5-6H,1,4,7-10H2 |
| InChIKey |
OMHJNYRSWUGAER-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202205440 |
| Molecular Weight |
299.297 g/mol |
| Quality |
98 |
| Reported Formula |
C14H16F3N3O |
| SMILES |
C=1(C(=CC=CN1)C(F)(F)F)N1CCN(CC1)C(CC=C)=O |
| SPLASH |
splash10-000i-0910000000-84cf1f0d5ed4e8407e1c |
| Source of Spectrum |
ACI-61-SM23-8f (DOI: 10.1002/anie.202205440) |
| Wiley ID |
1897883 |
