| SpectraBase Compound ID | BcjoyXvspJ9 |
|---|---|
| InChI | InChI=1S/C9H13FO2/c1-2-12-9(11)8-5-3-4-7(8)6-10/h2-6H2,1H3 |
| InChIKey | HXPJASWFBVMZII-UHFFFAOYSA-N |
| Mol Weight | 172.2 g/mol |
| Molecular Formula | C9H13FO2 |
| Exact Mass | 172.089958 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BahPplrwv08 |
|---|---|
| Name | Ethyl 2-(fluoromethyl)cyclopent-1-ene-1-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.089957820 u |
| Formula | C9H13FO2 |
| InChI | InChI=1S/C9H13FO2/c1-2-12-9(11)8-5-3-4-7(8)6-10/h2-6H2,1H3 |
| InChIKey | HXPJASWFBVMZII-UHFFFAOYSA-N |
| Molecular Weight | 172.199 g/mol |
| SMILES | C1(C(=O)OCC)=C(CF)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910583 |