| SpectraBase Compound ID | RlfUQn9A3f |
|---|---|
| InChI | InChI=1S/C9H9FO2/c10-9-3-1-8(2-4-9)5-6-12-7-11/h1-4,7H,5-6H2 |
| InChIKey | PNPHTAAKRLRPQP-UHFFFAOYSA-N |
| Mol Weight | 168.17 g/mol |
| Molecular Formula | C9H9FO2 |
| Exact Mass | 168.058658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gov49PVJZq8 |
|---|---|
| Name | Benzeneethanol, 4-fluoro-, formate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.058657691 u |
| Formula | C9H9FO2 |
| InChI | InChI=1S/C9H9FO2/c10-9-3-1-8(2-4-9)5-6-12-7-11/h1-4,7H,5-6H2 |
| InChIKey | PNPHTAAKRLRPQP-UHFFFAOYSA-N |
| Molecular Weight | 168.167 g/mol |
| SMILES | C1(=CC=C(C=C1)F)CCOC=O |