| SpectraBase Compound ID | Cf877ZcjIwh |
|---|---|
| InChI | InChI=1S/C33H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(34)35-26-27(2)21-20-23-32(3)28-24-29-30(25-28)33(29,32)4/h9-10,12-13,21,28-30H,5-8,11,14-20,22-26H2,1-4H3/b10-9-,13-12-,27-21-/t28-,29+,30-,32?,33+ |
| InChIKey | SOLUKEDWUPIQAA-LPTKPUIYSA-N |
| Mol Weight | 482.8 g/mol |
| Molecular Formula | C33H54O2 |
| Exact Mass | 482.412381 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hsiww8Bqes7 |
|---|---|
| Name | .alpha.-Santalol linoleoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 482.412380977 u |
| Formula | C33H54O2 |
| InChI | InChI=1S/C33H54O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31(34)35-26-27(2)21-20-23-32(3)28-24-29-30(25-28)33(29,32)4/h9-10,12-13,21,28-30H,5-8,11,14-20,22-26H2,1-4H3/b10-9-,13-12-,27-21-/t28-,29+,30-,32?,33+ |
| InChIKey | SOLUKEDWUPIQAA-LPTKPUIYSA-N |
| Molecular Weight | 482.793 g/mol |
| SMILES | [C@@]12(C[C@]3(C([C@@]2([C@@]1(C3)[H])C)(CC\C=C\(C)COC(CCCCCCC\C=C/C\C=C/CCCCC)=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97703 |