| SpectraBase Compound ID | B5FIYorCjR2 |
|---|---|
| InChI | InChI=1S/C11H24O/c1-4-7-10(5-2)8-11(6-3)9-12/h10-12H,4-9H2,1-3H3 |
| InChIKey | MPSSVYBWYAOYHH-UHFFFAOYSA-N |
| Mol Weight | 172.31 g/mol |
| Molecular Formula | C11H24O |
| Exact Mass | 172.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qCulKkkfMO |
|---|---|
| Name | 1-Heptanol, 2,4-diethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.182715392 u |
| Formula | C11H24O |
| InChI | InChI=1S/C11H24O/c1-4-7-10(5-2)8-11(6-3)9-12/h10-12H,4-9H2,1-3H3 |
| InChIKey | MPSSVYBWYAOYHH-UHFFFAOYSA-N |
| Molecular Weight | 172.312 g/mol |
| SMILES | CCCC(CC(CO)CC)CC |