| SpectraBase Compound ID | 4kpStcuDRPP |
|---|---|
| InChI | InChI=1S/C17H32O2/c1-6-8-15(19-14(3)18)10-11-16-13(2)9-7-12-17(16,4)5/h13,15-16H,6-12H2,1-5H3 |
| InChIKey | SXCZSHUNEYJWLL-UHFFFAOYSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C17H32O2 |
| Exact Mass | 268.24023 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LPPUudCQBTg |
|---|---|
| Name | 1-(2,2,6-Trimethylcyclohexyl)hexan-3-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.240230268 u |
| Formula | C17H32O2 |
| InChI | InChI=1S/C17H32O2/c1-6-8-15(19-14(3)18)10-11-16-13(2)9-7-12-17(16,4)5/h13,15-16H,6-12H2,1-5H3 |
| InChIKey | SXCZSHUNEYJWLL-UHFFFAOYSA-N |
| SMILES | C(OC(C)=O)(CCC1C(CCCC1C)(C)C)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968063 |