| SpectraBase Compound ID | DGneFraPo43 |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-10(15(18)19-4)12-5-7-16(3)8-6-14(17)11(2)13(16)9-12/h10,12H,5-9H2,1-4H3 |
| InChIKey | FTOXNMDBPIADPU-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LD5b9AHDfAq |
|---|---|
| Name | Methyl 4,8A-dimethyl-3-oxooctahydronaphthalen-6-alpha.-methylacetate isomer |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-10(15(18)19-4)12-5-7-16(3)8-6-14(17)11(2)13(16)9-12/h10,12H,5-9H2,1-4H3 |
| InChIKey | FTOXNMDBPIADPU-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C12=C(C(=O)CCC2(CCC(C1)C(C(=O)OC)C)C)C |