| SpectraBase Compound ID | LKyFSygZKOZ |
|---|---|
| InChI | InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
| InChIKey | KPMBAMKKTJSICO-UHFFFAOYSA-N |
| Mol Weight | 266.01 g/mol |
| Molecular Formula | C7H4FIO2 |
| Exact Mass | 265.924003 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7Z8HPVokVKM |
|---|---|
| Name | Benzoic acid, 3-fluoro-4-iodo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.924002530 u |
| Formula | C7H4FIO2 |
| InChI | InChI=1S/C7H4FIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
| InChIKey | KPMBAMKKTJSICO-UHFFFAOYSA-N |
| Molecular Weight | 266.010 g/mol |
| SMILES | C1(I)=C(C=C(C=C1)C(=O)O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958982 |