| SpectraBase Spectrum ID |
EpAeWoKEy8X |
| Name |
methyl 2-(3-oxobutyl)-6-(trifluoromethoxy)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.076593384 u |
| Formula |
C13H13F3O4 |
| GC Column |
HP-5 |
| GC Oven Program |
Oven temp 300oC |
| InChI |
InChI=1S/C13H13F3O4/c1-8(17)6-7-9-4-3-5-10(20-13(14,15)16)11(9)12(18)19-2/h3-5H,6-7H2,1-2H3 |
| InChIKey |
LTYNJMYMCMNIRX-UHFFFAOYSA-N |
| Instrument Name |
Agilent GC-MS 5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201800757 |
| Molecular Weight |
290.238 g/mol |
| Quality |
40 |
| Reported Formula |
C13H13O4F3 |
| SMILES |
COC(C1=C(C=CC=C1OC(F)(F)F)CCC(C)=O)=O |
| SPLASH |
splash10-014l-6090000000-98544a4659ff1835d13c |
| Source of Spectrum |
QE-24-SM12-3ca (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900141 |
