| SpectraBase Compound ID | DRXBXZb7XMV |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-16(2,3)18-15(17)13-9-5-8-12-14-10-6-4-7-11-14/h14H,4-13H2,1-3H3 |
| InChIKey | UYMKZWOGHXEIEN-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6gEK5i48rmg |
|---|---|
| Name | Tert-butyl 6-cyclohexylhexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-16(2,3)18-15(17)13-9-5-8-12-14-10-6-4-7-11-14/h14H,4-13H2,1-3H3 |
| InChIKey | UYMKZWOGHXEIEN-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(OC(C)(C)C)(=O)CCCCCC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95801 |