| SpectraBase Spectrum ID |
8FKhqFjpNqq |
| Name |
3-Methylbenzyl alcohol,trifluoroacet |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
218.055464017 u |
| Formula |
C10H9F3O2 |
| InChI |
InChI=1S/C10H9F3O2/c1-7-3-2-4-8(5-7)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3 |
| InChIKey |
JHQWMGDFTIHFMP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
218.175 g/mol |
| Nominal Mass |
218 u |
| Quality |
989 |
| Retention Index |
1536 |
| SMILES |
C(C(OCC=1C=C(C=CC1)C)=O)(F)(F)F |
| SPLASH |
splash10-0pvi-7920000000-6a6647a36cb50ff70f20 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-methylbenzyl-trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032429 |
