| SpectraBase Compound ID | JncXttdckH5 |
|---|---|
| InChI | InChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2 |
| InChIKey | MKWJZTFMDWSRIH-UHFFFAOYSA-N |
| Mol Weight | 171.13 g/mol |
| Molecular Formula | C7H6FNO3 |
| Exact Mass | 171.033171 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HlMeIPfhY6x |
|---|---|
| Name | 4-Fluoro-3-nitrobenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.033171217 u |
| Formula | C7H6FNO3 |
| InChI | InChI=1S/C7H6FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-3,10H,4H2 |
| InChIKey | MKWJZTFMDWSRIH-UHFFFAOYSA-N |
| Molecular Weight | 171.127 g/mol |
| SMILES | C1(=CC(=C(C=C1)F)N(=O)=O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954747 |