| SpectraBase Compound ID | LqiADnLJP8I |
|---|---|
| InChI | InChI=1S/C13H20O2/c1-3-5-6-7-8-9-12-11(4-2)10-13(14)15-12/h4,10,12H,2-3,5-9H2,1H3 |
| InChIKey | ORWNDKJPPHBSIV-UHFFFAOYSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | VJ5ZwsCK46 |
|---|---|
| Name | 2-Heptyl-3-vinyl-2H-furan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c1-3-5-6-7-8-9-12-11(4-2)10-13(14)15-12/h4,10,12H,2-3,5-9H2,1H3 |
| InChIKey | ORWNDKJPPHBSIV-UHFFFAOYSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | C1(OC(C(=C1)C=C)CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92705 |