| SpectraBase Compound ID | CZ5mTjmKNDb |
|---|---|
| InChI | InChI=1S/C10H16O2/c1-3-6-9(2)7-4-5-8-10(11)12/h9H,3-4,6-7H2,1-2H3,(H,11,12) |
| InChIKey | OMDPHFWGUJZVPZ-UHFFFAOYSA-N |
| Mol Weight | 168.24 g/mol |
| Molecular Formula | C10H16O2 |
| Exact Mass | 168.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LLx4omWbmZm |
|---|---|
| Name | 2-Nonynoic acid, 6-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.115029753 u |
| Formula | C10H16O2 |
| InChI | InChI=1S/C10H16O2/c1-3-6-9(2)7-4-5-8-10(11)12/h9H,3-4,6-7H2,1-2H3,(H,11,12) |
| InChIKey | OMDPHFWGUJZVPZ-UHFFFAOYSA-N |
| Molecular Weight | 168.236 g/mol |
| SMILES | C(#CCCC(CCC)C)C(=O)O |