| SpectraBase Compound ID | 3ieR01Zh5JR |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-4-6-7-8-9-12(3,5-2)10-11(13)14/h4-10H2,1-3H3,(H,13,14) |
| InChIKey | FNUPHRMQECGXKE-UHFFFAOYSA-N |
| Mol Weight | 200.32 g/mol |
| Molecular Formula | C12H24O2 |
| Exact Mass | 200.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F9Ve7iS8Du6 |
|---|---|
| Name | 3-Ethyl-3-methylnonanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.177630011 u |
| Formula | C12H24O2 |
| InChI | InChI=1S/C12H24O2/c1-4-6-7-8-9-12(3,5-2)10-11(13)14/h4-10H2,1-3H3,(H,13,14) |
| InChIKey | FNUPHRMQECGXKE-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | OC(CC(CCCCCC)(CC)C)=O |