| SpectraBase Compound ID | 4Dk8elLYx9H |
|---|---|
| InChI | InChI=1S/C28H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28(30)31-2/h27,29H,3-26H2,1-2H3 |
| InChIKey | XSKXNFIQPSLFNB-UHFFFAOYSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C28H56O3 |
| Exact Mass | 440.422946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LpdE6draZS6 |
|---|---|
| Name | 2-Hydroxyheptacosanoic acid - methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.422945660 u |
| Formula | C28H56O3 |
| InChI | InChI=1S/C28H56O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(29)28(30)31-2/h27,29H,3-26H2,1-2H3 |
| InChIKey | XSKXNFIQPSLFNB-UHFFFAOYSA-N |
| Molecular Weight | 440.753 g/mol |
| SMILES | C(C(CCCCCCCCCCCCCCCCCCCCCCCCC)O)(=O)OC |