| SpectraBase Compound ID | 8MwggZccLBJ |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-7(2)9(11)6-4-3-5-8(9)10/h7-8,10-11H,3-6H2,1-2H3 |
| InChIKey | QRNPZZASPSAQGQ-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C9H18O2 |
| Exact Mass | 158.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EGJTzp3wBQj |
|---|---|
| Name | 1,2-Cyclohexanediol, 1-(1-methylethyl)-, cis- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.130679818 u |
| Formula | C9H18O2 |
| InChI | InChI=1S/C9H18O2/c1-7(2)9(11)6-4-3-5-8(9)10/h7-8,10-11H,3-6H2,1-2H3 |
| InChIKey | QRNPZZASPSAQGQ-UHFFFAOYSA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | CC(C)C1(O)C(O)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.874366 |