| SpectraBase Compound ID | 9vgTY6dJ1p5 |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-5-8-6-7(4-2)9(10)11-8/h7-8H,3-6H2,1-2H3 |
| InChIKey | QLUXDTTYOWPTKN-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lcp9qfCZlp3 |
|---|---|
| Name | 2-Ethylheptan-4-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-3-5-8-6-7(4-2)9(10)11-8/h7-8H,3-6H2,1-2H3 |
| InChIKey | QLUXDTTYOWPTKN-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C1(C(CC(CCC)O1)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.977434 |