| SpectraBase Compound ID | 8YhHa7ldJaX |
|---|---|
| InChI | InChI=1S/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3 |
| InChIKey | LCJPVSLESAPYMK-UHFFFAOYSA-N |
| Mol Weight | 240.39 g/mol |
| Molecular Formula | C15H28O2 |
| Exact Mass | 240.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3E8eLBQiVf1 |
|---|---|
| Name | Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1.alpha.,2.beta.,5.alpha.)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.208930140 u |
| Formula | C15H28O2 |
| InChI | InChI=1S/C15H28O2/c1-5-6-7-15(16)17-14-10-12(4)8-9-13(14)11(2)3/h11-14H,5-10H2,1-4H3 |
| InChIKey | LCJPVSLESAPYMK-UHFFFAOYSA-N |
| Molecular Weight | 240.387 g/mol |
| SMILES | C1C(C(CCC1C)C(C)C)OC(=O)CCCC |