| SpectraBase Spectrum ID |
KSFVgjbeFIZ |
| Name |
methyl 2-(3-methoxy-3-oxo-propyl)-5-(trifluoromethyl)benzoate |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2025 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/c1-19-11(17)6-4-8-3-5-9(13(14,15)16)7-10(8)12(18)20-2/h3,5,7H,4,6H2,1-2H3 |
| InChIKey |
MDCHWZRBIBSELE-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 |
46 |
| Reported Formula |
C13H13F3O4 |
| SMILES |
COC(C1=C(C=CC(=C1)C(F)(F)F)CCC(=O)OC)=O |
| SPLASH |
splash10-001i-0190000000-d02e656556be067c330f |
| Source of Spectrum |
QE-24-SM23-3nm (DOI: 10.1002/chem.201800757) |
| Wiley ID |
1900155 |
