| SpectraBase Compound ID | ErZzL5iZZct |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4-5,7-8H,1H2,2-3H3 |
| InChIKey | YLDQGFKWYVWOJJ-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LJUojYdGk8k |
|---|---|
| Name | 1,4-Hexadien-3-ol, 5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.088815005 u |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h4-5,7-8H,1H2,2-3H3 |
| InChIKey | YLDQGFKWYVWOJJ-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(=C(C)C)C(C=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885287 |