| SpectraBase Compound ID | Iyb0tywuzov |
|---|---|
| InChI | InChI=1S/C11H22O/c1-4-6-8-10(3)11(9-12)7-5-2/h9-11H,4-8H2,1-3H3 |
| InChIKey | YCKRJPHVIHLJAQ-UHFFFAOYSA-N |
| Mol Weight | 170.3 g/mol |
| Molecular Formula | C11H22O |
| Exact Mass | 170.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 64p6oa41LnK |
|---|---|
| Name | 3-Methyl-2-propylheptanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.167065327 u |
| Formula | C11H22O |
| InChI | InChI=1S/C11H22O/c1-4-6-8-10(3)11(9-12)7-5-2/h9-11H,4-8H2,1-3H3 |
| InChIKey | YCKRJPHVIHLJAQ-UHFFFAOYSA-N |
| Molecular Weight | 170.296 g/mol |
| SMILES | C(=O)C(C(CCCC)C)CCC |