| SpectraBase Compound ID | 7yLqpi9Q8c0 |
|---|---|
| InChI | InChI=1S/C8H7FO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | LWGCZCMLPRMKIZ-UHFFFAOYSA-N |
| Mol Weight | 170.14 g/mol |
| Molecular Formula | C8H7FO3 |
| Exact Mass | 170.037922 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6rsv6bfhkuV |
|---|---|
| Name | Benzoic acid, 4-fluoro-3-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.037922245 u |
| Formula | C8H7FO3 |
| InChI | InChI=1S/C8H7FO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11) |
| InChIKey | LWGCZCMLPRMKIZ-UHFFFAOYSA-N |
| Molecular Weight | 170.139 g/mol |
| SMILES | C1=C(C=C(C(=C1)F)OC)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977859 |