| SpectraBase Spectrum ID |
QlCh2gSAq |
| Name |
4-Fluorobenzoic acid butyl ester |
| Classification |
Designer drug side product |
| 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 |
196.089957820 u |
| Formula |
C11H13FO2 |
| InChI |
InChI=1S/C11H13FO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8H2,1H3 |
| InChIKey |
ZKGLXPKJEGYMNT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
196.221 g/mol |
| Nominal Mass |
196 u |
| Quality |
906 |
| Retention Index |
1327 |
| SMILES |
C=1(C(OCCCC)=O)C=CC(=CC1)F |
| SPLASH |
splash10-00dl-4900000000-5bfa54bdc854e0fe60e9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
butyl 4-fluorobenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012441 |
