| SpectraBase Compound ID | 5UfX7Kv09Xv |
|---|---|
| InChI | InChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2 |
| InChIKey | MXJQJURZHQZLNN-UHFFFAOYSA-N |
| Mol Weight | 127.12 g/mol |
| Molecular Formula | C6H6FNO |
| Exact Mass | 127.043342 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8u7CPlRqkuD |
|---|---|
| Name | 4-Amino-2-fluorophenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.043341979 u |
| Formula | C6H6FNO |
| InChI | InChI=1S/C6H6FNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2 |
| InChIKey | MXJQJURZHQZLNN-UHFFFAOYSA-N |
| Molecular Weight | 127.118 g/mol |
| SMILES | C1(=C(C=C(C=C1)N)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947521 |