| SpectraBase Compound ID | 4wUgUxygORz |
|---|---|
| InChI | InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3 |
| InChIKey | YGZVAQICDGBHMD-UHFFFAOYSA-N |
| Mol Weight | 116.2 g/mol |
| Molecular Formula | C7H16O |
| Exact Mass | 116.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3NdTwv3I9KD |
|---|---|
| Name | 1-Hexanol, 3-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 116.120115134 u |
| Formula | C7H16O |
| InChI | InChI=1S/C7H16O/c1-3-4-7(2)5-6-8/h7-8H,3-6H2,1-2H3 |
| InChIKey | YGZVAQICDGBHMD-UHFFFAOYSA-N |
| Molecular Weight | 116.204 g/mol |
| SMILES | C(C(CCO)C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960449 |