| SpectraBase Compound ID | LY0KERXo0Md |
|---|---|
| InChI | InChI=1S/C12H24O2/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14) |
| InChIKey | PLVOWOHSFJLXOR-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 | BQRlURMqx06 |
|---|---|
| Name | 2-Pentylheptanoic 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/c1-3-5-7-9-11(12(13)14)10-8-6-4-2/h11H,3-10H2,1-2H3,(H,13,14) |
| InChIKey | PLVOWOHSFJLXOR-UHFFFAOYSA-N |
| Molecular Weight | 200.322 g/mol |
| SMILES | OC(=O)C(CCCCC)CCCCC |