| SpectraBase Compound ID | KIXBXHXqPgY |
|---|---|
| InChI | InChI=1S/C8H16O/c1-7(5-6-9)8(2,3)4/h5,9H,6H2,1-4H3/b7-5+ |
| InChIKey | RXYHZISPKULRHT-FNORWQNLSA-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 | 8RZloEMJbTn |
|---|---|
| Name | (E)-3,4,4-Trimethyl-2-penten-1-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/c1-7(5-6-9)8(2,3)4/h5,9H,6H2,1-4H3/b7-5+ |
| InChIKey | RXYHZISPKULRHT-FNORWQNLSA-N |
| Molecular Weight | 128.215 g/mol |
| SMILES | C(C)(\C(=C\CO)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929454 |