| SpectraBase Compound ID | HwR50n2HqEA |
|---|---|
| InChI | InChI=1S/C16H28O3/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)19-13-14/h14H,2-13H2,1H3/t14-/m1/s1 |
| InChIKey | OMEHFLCQTFHGJQ-CQSZACIVSA-N |
| Mol Weight | 268.4 g/mol |
| Molecular Formula | C16H28O3 |
| Exact Mass | 268.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7j2t99DPkJN |
|---|---|
| Name | (14R)-(+)-14-methyl-12-oxo-15-pentadecanolide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.203844759 u |
| Formula | C16H28O3 |
| InChI | InChI=1S/C16H28O3/c1-14-12-15(17)10-8-6-4-2-3-5-7-9-11-16(18)19-13-14/h14H,2-13H2,1H3/t14-/m1/s1 |
| InChIKey | OMEHFLCQTFHGJQ-CQSZACIVSA-N |
| SMILES | C1(OC[C@@](CC(=O)CCCCCCCCCC1)(C)[H])=O |