| SpectraBase Compound ID | 5jrztX6LsrP |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8,10-11H,1,3-7H2 |
| InChIKey | JGTTZKODGNZWHA-UHFFFAOYSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CQGEkCq0vyq |
|---|---|
| Name | 1-Allyl-cyclohexane-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-2-6-9(11)7-4-3-5-8(9)10/h2,8,10-11H,1,3-7H2 |
| InChIKey | JGTTZKODGNZWHA-UHFFFAOYSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C1CC(C(CC1)O)(O)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831044 |