| SpectraBase Spectrum ID |
GY6GMaExk9I |
| Name |
3,5-Bis(trifluoromethyl)benzyl butyrate |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.074148602 u |
| Formula |
C13H12F6O2 |
| InChI |
InChI=1S/C13H12F6O2/c1-2-3-11(20)21-7-8-4-9(12(14,15)16)6-10(5-8)13(17,18)19/h4-6H,2-3,7H2,1H3 |
| InChIKey |
OCBAPXGMXBEEKS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.227 g/mol |
| Nominal Mass |
314 u |
| Quality |
997 |
| Retention Index |
1263 |
| SMILES |
C(C1=CC(C(F)(F)F)=CC(=C1)COC(CCC)=O)(F)(F)F |
| SPLASH |
splash10-006x-9110000000-2535a69c2726107a23fa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,5-bis(trifluoromethyl)benzyl butanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004511 |
