| SpectraBase Compound ID | 5tAvuyhXRWj |
|---|---|
| InChI | InChI=1S/C12H21FO2/c13-11-8-6-4-2-1-3-5-7-9-12(14)15-10-11/h11H,1-10H2 |
| InChIKey | UQRMQFFLEMPKEK-UHFFFAOYSA-N |
| Mol Weight | 216.3 g/mol |
| Molecular Formula | C12H21FO2 |
| Exact Mass | 216.152558 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 38eB1Sepkw8 |
|---|---|
| Name | 12-Fluoranyl-1-oxacyclotridecan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.152558077 u |
| Formula | C12H21FO2 |
| InChI | InChI=1S/C12H21FO2/c13-11-8-6-4-2-1-3-5-7-9-12(14)15-10-11/h11H,1-10H2 |
| InChIKey | UQRMQFFLEMPKEK-UHFFFAOYSA-N |
| Molecular Weight | 216.296 g/mol |
| SMILES | C1(OCC(F)CCCCCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981103 |