| SpectraBase Compound ID | JKEqGDu0u2a |
|---|---|
| InChI | InChI=1S/C12H26O2/c1-5-7-8-11(6-2)12(14)9(3)10(4)13/h9-14H,5-8H2,1-4H3 |
| InChIKey | LJGRJTMTDBCJEG-UHFFFAOYSA-N |
| Mol Weight | 202.34 g/mol |
| Molecular Formula | C12H26O2 |
| Exact Mass | 202.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iflt0gHr9SC |
|---|---|
| Name | 5-Ethyl-3-methyl-2,4-nonanediol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.193280075 u |
| Formula | C12H26O2 |
| InChI | InChI=1S/C12H26O2/c1-5-7-8-11(6-2)12(14)9(3)10(4)13/h9-14H,5-8H2,1-4H3 |
| InChIKey | LJGRJTMTDBCJEG-UHFFFAOYSA-N |
| Molecular Weight | 202.338 g/mol |
| SMILES | OC(C(C(O)C(CCCC)CC)C)C |