| SpectraBase Spectrum ID |
JFWlefAFgqu |
| Name |
Vanillin HFB |
| Classification |
Flavor derivative |
| 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 |
348.023255842 u |
| Formula |
C12H7F7O4 |
| InChI |
InChI=1S/C12H7F7O4/c1-22-8-4-6(5-20)2-3-7(8)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3 |
| InChIKey |
GJEXMEDKOQTZTK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
348.173 g/mol |
| Nominal Mass |
348 u |
| Quality |
934 |
| Retention Index |
2458 |
| SMILES |
C(C(C(F)(F)F)(F)F)(C(OC1=C(C=C(C=C1)C=O)OC)=O)(F)F |
| SPLASH |
splash10-0002-5409000000-bb514b831a2b54fce747 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-formyl-2-methoxyphenyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013767 |
