| SpectraBase Compound ID | 2YQbAUa0sFc |
|---|---|
| InChI | InChI=1S/C7H8FNO2/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2,10-11H,3,9H2 |
| InChIKey | LHNZETLOPKOJKH-UHFFFAOYSA-N |
| Mol Weight | 157.14 g/mol |
| Molecular Formula | C7H8FNO2 |
| Exact Mass | 157.053907 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IQ3zNebv0EM |
|---|---|
| Name | Benzen-1,2-diol, 5-fluoro-4-aminomethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.053906663 u |
| Formula | C7H8FNO2 |
| InChI | InChI=1S/C7H8FNO2/c8-5-2-7(11)6(10)1-4(5)3-9/h1-2,10-11H,3,9H2 |
| InChIKey | LHNZETLOPKOJKH-UHFFFAOYSA-N |
| Molecular Weight | 157.144 g/mol |
| SMILES | C1(=C(C=C(C(=C1)O)O)CN)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908892 |