| SpectraBase Compound ID | 6sDGZCmNmI7 |
|---|---|
| InChI | InChI=1S/C16H30O2/c1-3-4-5-6-7-9-12-16(15(17)18-2)13-10-8-11-14-16/h3-14H2,1-2H3 |
| InChIKey | TXPKRHQEGPYMAV-UHFFFAOYSA-N |
| Mol Weight | 254.41 g/mol |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39RHiUtb0qu |
|---|---|
| Name | Cyclohexanecarboxylic acid, 1-octyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.224580204 u |
| Formula | C16H30O2 |
| InChI | InChI=1S/C16H30O2/c1-3-4-5-6-7-9-12-16(15(17)18-2)13-10-8-11-14-16/h3-14H2,1-2H3 |
| InChIKey | TXPKRHQEGPYMAV-UHFFFAOYSA-N |
| Molecular Weight | 254.414 g/mol |
| SMILES | C(CCCCCCC)C1(C(OC)=O)CCCCC1 |