| SpectraBase Compound ID | CaCoe5d266r |
|---|---|
| InChI | InChI=1S/C11H22/c1-9-6-10(2,3)8-11(4,5)7-9/h9H,6-8H2,1-5H3 |
| InChIKey | AUBOCPGIGWSTNB-UHFFFAOYSA-N |
| Mol Weight | 154.3 g/mol |
| Molecular Formula | C11H22 |
| Exact Mass | 154.172151 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | D5zA9emukBt |
|---|---|
| Name | 1,1,3,3,5-Pentamethylcyclohexan |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.172150708 u |
| Formula | C11H22 |
| InChI | InChI=1S/C11H22/c1-9-6-10(2,3)8-11(4,5)7-9/h9H,6-8H2,1-5H3 |
| InChIKey | AUBOCPGIGWSTNB-UHFFFAOYSA-N |
| Molecular Weight | 154.297 g/mol |
| SMILES | C1C(C)(C)CC(C)(C)CC1C |
| Spectrum/Structure Validation Score (Raman) | 0.992347 |