| SpectraBase Spectrum ID |
FWhviN5BKLh |
| Name |
methyl 2-(3-oxobutyl)-5-(trifluoromethyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.081678765 u |
| Formula |
C13H13F3O3 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C13H13F3O3/c1-8(17)3-4-9-5-6-10(13(14,15)16)7-11(9)12(18)19-2/h5-7H,3-4H2,1-2H3 |
| InChIKey |
AAZGESIUMOQIHA-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
274.239 g/mol |
| Reported Formula |
C13H13O3F3 |
| SMILES |
COC(C1=C(C=CC(=C1)C(F)(F)F)CCC(C)=O)=O |
| SPLASH |
splash10-0002-0900000000-2364f2a3f62b555f9065 |
| Source of Spectrum |
QE-24-SM15-3na (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900154 |
