| SpectraBase Compound ID | 3YFQaq18Ei3 |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)6-12-10(9)11/h8H,4-6H2,1-3H3 |
| InChIKey | KGJUXIPACDJNGS-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6SsvSBNkHRt |
|---|---|
| Name | 2-(1'-Methylethylidene)-5-methyl-5-hexanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)6-12-10(9)11/h8H,4-6H2,1-3H3 |
| InChIKey | KGJUXIPACDJNGS-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C1(C(OCC(CC1)C)=O)=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867884 |