| SpectraBase Compound ID | GCUhQE1foGw |
|---|---|
| InChI | InChI=1S/C21H34O2/c1-15(2)8-11-20(22)23-14-16(3)7-6-12-21(5)17(4)18-9-10-19(21)13-18/h7,15,18-19H,4,6,8-14H2,1-3,5H3/b16-7- |
| InChIKey | SDYCBAOGJKCPNV-APSNUPSMSA-N |
| Mol Weight | 318.5 g/mol |
| Molecular Formula | C21H34O2 |
| Exact Mass | 318.25588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LikcaG2sg3 |
|---|---|
| Name | .beta.-Santalol, 4-methylpentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.255880333 u |
| Formula | C21H34O2 |
| InChI | InChI=1S/C21H34O2/c1-15(2)8-11-20(22)23-14-16(3)7-6-12-21(5)17(4)18-9-10-19(21)13-18/h7,15,18-19H,4,6,8-14H2,1-3,5H3/b16-7- |
| InChIKey | SDYCBAOGJKCPNV-APSNUPSMSA-N |
| Molecular Weight | 318.501 g/mol |
| SMILES | C12C(C(=C)C(C2)CC1)(C)CC\C=C\(C)COC(CCC(C)C)=O |