| SpectraBase Compound ID | f03h6uNjlO |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-4-9(3)6-5-7(2)8(10)11-9/h7H,4-6H2,1-3H3/t7-,9+/m0/s1 |
| InChIKey | KXMUUSMNMBIDHO-IONNQARKSA-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 | 6b0el2FND8O |
|---|---|
| Name | (2S,5R)-2,5-Dimethyl-heptan-5-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/c1-4-9(3)6-5-7(2)8(10)11-9/h7H,4-6H2,1-3H3/t7-,9+/m0/s1 |
| InChIKey | KXMUUSMNMBIDHO-IONNQARKSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C1C[C@@](CC)(OC([C@]1(C)[H])=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988522 |