| SpectraBase Compound ID | dkyMLke6y0 |
|---|---|
| InChI | InChI=1S/C9H20O2/c1-3-9(11,4-2)7-5-6-8-10/h10-11H,3-8H2,1-2H3 |
| InChIKey | CICGCWWXSYCGDQ-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C9H20O2 |
| Exact Mass | 160.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ME72Hkvgcv |
|---|---|
| Name | 5-Ethyl-1,5-heptanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.146329882 u |
| Formula | C9H20O2 |
| InChI | InChI=1S/C9H20O2/c1-3-9(11,4-2)7-5-6-8-10/h10-11H,3-8H2,1-2H3 |
| InChIKey | CICGCWWXSYCGDQ-UHFFFAOYSA-N |
| Molecular Weight | 160.257 g/mol |
| SMILES | C(O)(CC)(CC)CCCCO |