| SpectraBase Compound ID | Ftv4bvMPVWW |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-4-12(2,3)10-5-7-11(8-6-10)14-9-13/h9-11H,4-8H2,1-3H3 |
| InChIKey | DYSYPCUGLFVYAR-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5BHyj4LU5lr |
|---|---|
| Name | 4-Tert-pentylcyclohexanol, formate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-4-12(2,3)10-5-7-11(8-6-10)14-9-13/h9-11H,4-8H2,1-3H3 |
| InChIKey | DYSYPCUGLFVYAR-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1CC(CCC1OC=O)C(C)(CC)C |
| Spectrum/Structure Validation Score (Raman) | 0.980529 |