| SpectraBase Compound ID | KBGRDe23cWU |
|---|---|
| InChI | InChI=1S/C8H16O/c1-5-6-8(4,9)7(2)3/h5-7,9H,1-4H3/b6-5- |
| InChIKey | XLENBNRAKMIXGR-WAYWQWQTSA-N |
| Mol Weight | 128.21 g/mol |
| Molecular Formula | C8H16O |
| Exact Mass | 128.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bay9OREjxfW |
|---|---|
| Name | Z-4,5-Dimethylhex-2-en-4-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.120115134 u |
| Formula | C8H16O |
| InChI | InChI=1S/C8H16O/c1-5-6-8(4,9)7(2)3/h5-7,9H,1-4H3/b6-5- |
| InChIKey | XLENBNRAKMIXGR-WAYWQWQTSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(\C=C/C)(C(C)C)(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932057 |