| SpectraBase Spectrum ID |
2pP6ULD4t2O |
| Name |
Hexanol TFA |
| CAS Registry Number |
400-61-3 |
| 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 |
198.086764146 u |
| Formula |
C8H13F3O2 |
| InChI |
InChI=1S/C8H13F3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3 |
| InChIKey |
DTTIQEHOYLOWDU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
198.185 g/mol |
| Nominal Mass |
198 u |
| Quality |
1000 |
| Retention Index |
1343 |
| SMILES |
C(C(OCCCCCC)=O)(F)(F)F |
| SPLASH |
splash10-0aou-9000000000-9181d253dc0dd38e5ef3 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Hexyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026132 |
