| SpectraBase Compound ID | Bk1tYPScYU3 |
|---|---|
| InChI | InChI=1S/C9H20O2/c1-3-5-9(11)6-8(4-2)7-10/h8-11H,3-7H2,1-2H3 |
| InChIKey | UBABJUZFZUFNHC-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C9H20O2 |
| Exact Mass | 160.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H3ZwsYSq8IZ |
|---|---|
| Name | 2-Ethyl-1,4-heptanediol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.146329882 u |
| Formula | C9H20O2 |
| InChI | InChI=1S/C9H20O2/c1-3-5-9(11)6-8(4-2)7-10/h8-11H,3-7H2,1-2H3 |
| InChIKey | UBABJUZFZUFNHC-UHFFFAOYSA-N |
| Molecular Weight | 160.257 g/mol |
| SMILES | C(C(CC(CCC)O)CC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971028 |