| SpectraBase Spectrum ID |
Dm8f3nyZidM |
| Name |
4-Fluorobenzoic acid |
| CAS Registry Number |
455-38-9 |
| 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 |
140.027357562 u |
| Formula |
C7H5FO2 |
| InChI |
InChI=1S/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey |
BBYDXOIZLAWGSL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
140.113 g/mol |
| Nominal Mass |
140 u |
| Quality |
962 |
| Retention Index |
1237 |
| SMILES |
OC(C1=CC=C(C=C1)F)=O |
| SPLASH |
splash10-00dm-9800000000-fed9adbfbbf78fcc3e86 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
p-Fluorobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012246 |
