| SpectraBase Compound ID | IcgcpuXqdCK |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-7(2)10-5-4-9(3,12-10)6-8(10)11/h7H,4-6H2,1-3H3/t9?,10-/m0/s1 |
| InChIKey | HGSFPSAJBNNZNV-AXDSSHIGSA-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 | HTdBSIFQley |
|---|---|
| Name | (.+-.) 3-oxocineole |
| 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)10-5-4-9(3,12-10)6-8(10)11/h7H,4-6H2,1-3H3/t9?,10-/m0/s1 |
| InChIKey | HGSFPSAJBNNZNV-AXDSSHIGSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | [C@@]12(C(CC(O2)(C)CC1)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970507 |