| SpectraBase Compound ID | 6AY5xZEmy4x |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-11(2)6-8(14-4)7-12(3)9(11)5-10(13)15-12/h5,8H,6-7H2,1-4H3/t8-,12+/m0/s1 |
| InChIKey | VBRMXJMJLDGXRG-QPUJVOFHSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47BCSpEYyEu |
|---|---|
| Name | Loliolide, methyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-11(2)6-8(14-4)7-12(3)9(11)5-10(13)15-12/h5,8H,6-7H2,1-4H3/t8-,12+/m0/s1 |
| InChIKey | VBRMXJMJLDGXRG-QPUJVOFHSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C1(O[C@]2(C(=C1)C(C[C@@](C2)(OC)[H])(C)C)C)=O |