| SpectraBase Compound ID | IYl9Naaexk4 |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-10-5-7-13(12(3)16(17)18-4)9-15-11(2)6-8-14(10)15/h10,13-14H,3,5-9H2,1-2,4H3 |
| InChIKey | QOMUQZTZDWFQPT-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Hh7G7cXScs |
|---|---|
| Name | Methyl aciphyllate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-10-5-7-13(12(3)16(17)18-4)9-15-11(2)6-8-14(10)15/h10,13-14H,3,5-9H2,1-2,4H3 |
| InChIKey | QOMUQZTZDWFQPT-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | COC(=O)C(C1CCC(C)C2C(C1)=C(CC2)C)=C |