| SpectraBase Compound ID | E9Y53SG0Dh1 |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3/t10-,12+/m1/s1 |
| InChIKey | IRWLDXUJBJPFNV-PWSUYJOCSA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVcf5BI5lYV |
|---|---|
| Name | (3R,6R)-Linalool oxide acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-6-12(5)8-7-10(14-9(2)13)11(3,4)15-12/h6,10H,1,7-8H2,2-5H3/t10-,12+/m1/s1 |
| InChIKey | IRWLDXUJBJPFNV-PWSUYJOCSA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C1(C)(O[C@](CC[C@]1(OC(C)=O)[H])(C=C)C)C |