| SpectraBase Compound ID | 7aHqc0Y7oOv |
|---|---|
| InChI | InChI=1S/C9H18O2/c1-9(2,3)8(11)6-4-5-7-10/h4-5,8,10-11H,6-7H2,1-3H3/b5-4- |
| InChIKey | YJINDSOLAGWZQT-PLNGDYQASA-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 | EjclECjA6N |
|---|---|
| Name | (Z)-6,6-Dimethylhept-2-en-1,5-diol |
| 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/c1-9(2,3)8(11)6-4-5-7-10/h4-5,8,10-11H,6-7H2,1-3H3/b5-4- |
| InChIKey | YJINDSOLAGWZQT-PLNGDYQASA-N |
| Molecular Weight | 158.241 g/mol |
| SMILES | C(C(O)C\C=C/CO)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976928 |