| SpectraBase Compound ID | LXW2v4preSk |
|---|---|
| InChI | InChI=1S/C33H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32(34)35-27-28(2)21-20-25-33(4)29(3)30-23-24-31(33)26-30/h9-10,12-13,21,30-31H,3,5-8,11,14-20,22-27H2,1-2,4H3/b10-9-,13-12-,28-21- |
| InChIKey | GFDNQIQPBRTVBD-DSUDJLFHSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C33H54O2 |
| Exact Mass | 482.412381 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SYUlY6bv2h |
|---|---|
| Name | .beta.-Santalyl linoleoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.412380977 u |
| Formula | C33H54O2 |
| InChI | InChI=1S/C33H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32(34)35-27-28(2)21-20-25-33(4)29(3)30-23-24-31(33)26-30/h9-10,12-13,21,30-31H,3,5-8,11,14-20,22-27H2,1-2,4H3/b10-9-,13-12-,28-21- |
| InChIKey | GFDNQIQPBRTVBD-DSUDJLFHSA-N |
| Molecular Weight | 482.793 g/mol |
| SMILES | C12C(C(=C)C(C2)CC1)(C)CC\C=C\(C)COC(CCCCCCC\C=C/C\C=C/CCCCC)=O |