| SpectraBase Compound ID | FIY46GJKBr1 |
|---|---|
| InChI | InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h23,26H,3-20H2,1-2H3 |
| InChIKey | ZLVJJMWEIHRVLD-UHFFFAOYSA-N |
| Mol Weight | 384.6 g/mol |
| Molecular Formula | C23H44O4 |
| Exact Mass | 384.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3rktXQHZxO |
|---|---|
| Name | (2-Hydroxy-4-oxo-henicosyl) acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.323959893 u |
| Formula | C23H44O4 |
| InChI | InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h23,26H,3-20H2,1-2H3 |
| InChIKey | ZLVJJMWEIHRVLD-UHFFFAOYSA-N |
| Molecular Weight | 384.601 g/mol |
| SMILES | C(=O)(OCC(CC(=O)CCCCCCCCCCCCCCCCC)O)C |