| SpectraBase Compound ID | 3AYcq6phLMD |
|---|---|
| InChI | InChI=1S/C15H26O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h12H,6-10H2,1-5H3 |
| InChIKey | PSEPWYXAIAKJJV-UHFFFAOYSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C15H26O2 |
| Exact Mass | 238.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2I1JLLJE8z6 |
|---|---|
| Name | Acetic acid, 1-methyl-3-(2,6,6-trimethylcyclohex-1-enyl)propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.193280075 u |
| Formula | C15H26O2 |
| InChI | InChI=1S/C15H26O2/c1-11-7-6-10-15(4,5)14(11)9-8-12(2)17-13(3)16/h12H,6-10H2,1-5H3 |
| InChIKey | PSEPWYXAIAKJJV-UHFFFAOYSA-N |
| Molecular Weight | 238.371 g/mol |
| SMILES | C1CCC(C(=C1C)CCC(OC(C)=O)C)(C)C |