| SpectraBase Compound ID | 4zBWj34ppQg |
|---|---|
| InChI | InChI=1S/C11H24O/c1-6-11(12,7-9(2)3)8-10(4)5/h9-10,12H,6-8H2,1-5H3 |
| InChIKey | FHFITCYHABMGHH-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 | 7uoyhWTzyPW |
|---|---|
| Name | 4-Heptanol, 4-ethyl-2,6-dimethyl- |
| 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/c1-6-11(12,7-9(2)3)8-10(4)5/h9-10,12H,6-8H2,1-5H3 |
| InChIKey | FHFITCYHABMGHH-UHFFFAOYSA-N |
| Molecular Weight | 172.312 g/mol |
| SMILES | C(C(CC(C)C)(CC)O)C(C)C |