| SpectraBase Spectrum ID |
2kjgcBK6NlI |
| Name |
3,4-Difluorobenzoic acid |
| CAS Registry Number |
455-86-7 |
| 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 |
158.017935693 u |
| Formula |
C7H4F2O2 |
| InChI |
InChI=1S/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
| InChIKey |
FPENCTDAQQQKNY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
158.104 g/mol |
| Nominal Mass |
158 u |
| Quality |
983 |
| Retention Index |
1176 |
| SMILES |
OC(C=1C=C(C(=CC1)F)F)=O |
| SPLASH |
splash10-03dl-8900000000-acd92de8b0278d99b9f1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,4-difluorobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004455 |
