| SpectraBase Compound ID | CtXRIe8K5Vg |
|---|---|
| InChI | InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4-8H,1-3H3/b5-4+ |
| InChIKey | WFRYPJOHULJNDS-SNAWJCMRSA-N |
| Mol Weight | 114.19 g/mol |
| Molecular Formula | C7H14O |
| Exact Mass | 114.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CfCgKcbFBVp |
|---|---|
| Name | Trans-2-methyl-4-hexen-3-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.104465070 u |
| Formula | C7H14O |
| InChI | InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h4-8H,1-3H3/b5-4+ |
| InChIKey | WFRYPJOHULJNDS-SNAWJCMRSA-N |
| Molecular Weight | 114.188 g/mol |
| SMILES | C\C=C\C(C(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876448 |