| SpectraBase Compound ID | F5jZkDQoGvh |
|---|---|
| InChI | InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ |
| InChIKey | VYGQUTWHTHXGQB-FFHKNEKCSA-N |
| Mol Weight | 524.9 g/mol |
| Molecular Formula | C36H60O2 |
| Exact Mass | 524.459331 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4PhKk9FGNH4 |
|---|---|
| Name | Retinol palmitate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 524.459331170 u |
| Formula | C36H60O2 |
| InChI | InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+ |
| InChIKey | VYGQUTWHTHXGQB-FFHKNEKCSA-N |
| Molecular Weight | 524.874 g/mol |
| SMILES | C1C(C(=C(CC1)C)\C=C\C(=C\C=C\C(=C\COC(CCCCCCCCCCCCCCC)=O)C)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.890803 |