| SpectraBase Spectrum ID |
B1T5uoC2UPy |
| Name |
1-(3,3,3-Trifluoro-2-(4-(methylthio)phenyl)propyl)pyridin-2(1H)-one |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.074819737 u |
| Formula |
C15H14F3NOS |
| InChI |
InChI=1S/C15H14F3NOS/c1-21-12-7-5-11(6-8-12)13(15(16,17)18)10-19-9-3-2-4-14(19)20/h2-9,13H,10H2,1H3 |
| InChIKey |
JFCONQHFJZZQPR-UHFFFAOYSA-N |
| Instrument Name |
Waters GCT Premier |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/asia.202300144 |
| Molecular Weight |
313.338 g/mol |
| Quality |
753 |
| Reported Formula |
C15H14F3NOS |
| SMILES |
C(CN1C=CC=CC1=O)(C1=CC=C(C=C1)SC)C(F)(F)F |
| SPLASH |
splash10-014i-0390000000-78d4f901b301ba816870 |
| Source of Spectrum |
CAJ-18-SM53-3qa (DOI: 10.1002/asia.202300144) |
| Wiley ID |
1909847 |
