| SpectraBase Compound ID | IkTsrwkAOXr |
|---|---|
| InChI | InChI=1S/C10H9FO2/c1-7(11)8-5-3-4-6-9(8)10(12)13-2/h3-6H,1H2,2H3 |
| InChIKey | QHAUTTGQCFZQGX-UHFFFAOYSA-N |
| Mol Weight | 180.18 g/mol |
| Molecular Formula | C10H9FO2 |
| Exact Mass | 180.058658 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3fSfUQzRpZK |
|---|---|
| Name | Methyl-2'-(1-fluorovinyl)-benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.058657691 u |
| Formula | C10H9FO2 |
| InChI | InChI=1S/C10H9FO2/c1-7(11)8-5-3-4-6-9(8)10(12)13-2/h3-6H,1H2,2H3 |
| InChIKey | QHAUTTGQCFZQGX-UHFFFAOYSA-N |
| Molecular Weight | 180.178 g/mol |
| SMILES | C(F)(=C)C1=CC=CC=C1C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854699 |