| SpectraBase Compound ID | ANXwODu7GyL |
|---|---|
| InChI | InChI=1S/C7H16O2/c1-3-7(9,4-2)5-6-8/h8-9H,3-6H2,1-2H3 |
| InChIKey | LHHAIANRJLAQAE-UHFFFAOYSA-N |
| Mol Weight | 132.2 g/mol |
| Molecular Formula | C7H16O2 |
| Exact Mass | 132.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | G5gacP4ZhTF |
|---|---|
| Name | 3-Ethylpentane-1,3-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.115029753 u |
| Formula | C7H16O2 |
| InChI | InChI=1S/C7H16O2/c1-3-7(9,4-2)5-6-8/h8-9H,3-6H2,1-2H3 |
| InChIKey | LHHAIANRJLAQAE-UHFFFAOYSA-N |
| Molecular Weight | 132.203 g/mol |
| SMILES | C(CCO)(O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96737 |