| SpectraBase Compound ID | BpfhlSHEYmb |
|---|---|
| InChI | InChI=1S/C9H18O/c1-6-7-8(2,3)9(4,5)10/h6-7,10H,1-5H3/b7-6+ |
| InChIKey | PTJXJEFAWCBVKP-VOTSOKGWSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CEUgaeMLP1P |
|---|---|
| Name | 2,3,3-Trimethyl-4-hexen-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-6-7-8(2,3)9(4,5)10/h6-7,10H,1-5H3/b7-6+ |
| InChIKey | PTJXJEFAWCBVKP-VOTSOKGWSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | C(C(O)(C)C)(\C=C\C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978912 |