| SpectraBase Compound ID | CTOt1jGZu3k |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-5-7-11(8-6-2)9-14-12(13)10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | OIVKYFKVUYICTP-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 | 9D0BUCuOOSk |
|---|---|
| Name | 2-Propyl-1-pentanol, 2-methylpropionate |
| 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/c1-5-7-11(8-6-2)9-14-12(13)10(3)4/h10-11H,5-9H2,1-4H3 |
| InChIKey | OIVKYFKVUYICTP-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | CCCC(COC(C(C)C)=O)CCC |