| SpectraBase Compound ID | TLVeEkVq3y |
|---|---|
| InChI | InChI=1S/C7H7F2NO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,10H2,1H3 |
| InChIKey | QPTCKMGIABQHOT-UHFFFAOYSA-N |
| Mol Weight | 159.14 g/mol |
| Molecular Formula | C7H7F2NO |
| Exact Mass | 159.04957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5EO8Y9tDZBF |
|---|---|
| Name | 6-Amino-2,4-difluoro-3-methylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.049570174 u |
| Formula | C7H7F2NO |
| InChI | InChI=1S/C7H7F2NO/c1-3-4(8)2-5(10)7(11)6(3)9/h2,11H,10H2,1H3 |
| InChIKey | QPTCKMGIABQHOT-UHFFFAOYSA-N |
| Molecular Weight | 159.136 g/mol |
| SMILES | CC1=C(F)C=C(N)C(O)=C1F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934796 |