| SpectraBase Compound ID | AuRemHhp6zd |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-8(5-2)9(11)6-7(3)10/h8H,4-6H2,1-3H3 |
| InChIKey | WTOINXDHRHCLLI-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 | BVzmYd9ZQqi |
|---|---|
| Name | 5-Ethyl-2,4-heptandione |
| 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/c1-4-8(5-2)9(11)6-7(3)10/h8H,4-6H2,1-3H3 |
| InChIKey | WTOINXDHRHCLLI-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(=O)(C(CC)CC)CC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887853 |