| SpectraBase Compound ID | djarGscO5i |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h8-10H,2-7H2,1H3 |
| InChIKey | HAIDOUOHWZTISS-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6qsMCwx8XrN |
|---|---|
| Name | 2-Heptyl-2H-furan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-2-3-4-5-6-7-10-8-9-11(12)13-10/h8-10H,2-7H2,1H3 |
| InChIKey | HAIDOUOHWZTISS-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1=CC(OC1CCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936932 |