| SpectraBase Spectrum ID |
2lzV5KGF2wa |
| Name |
4-Methylbenzyl alcohol,heptafluoro butyrate |
| 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 |
318.049076669 u |
| Formula |
C12H9F7O2 |
| InChI |
InChI=1S/C12H9F7O2/c1-7-2-4-8(5-3-7)6-21-9(20)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3 |
| InChIKey |
OVDJLWUCTSPGGK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
318.191 g/mol |
| Nominal Mass |
318 u |
| Quality |
997 |
| Retention Index |
2207 |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(OCC1=CC=C(C=C1)C)=O)(F)F |
| SPLASH |
splash10-0a4i-6901000000-381935bb1c815613d965 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylbenzyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032423 |
