| SpectraBase Compound ID | DDMjU1Zp4XH |
|---|---|
| InChI | InChI=1S/C29H58O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-29(30)31-28(3)4/h27-28H,5-26H2,1-4H3 |
| InChIKey | WATGTZQYUUUKDU-UHFFFAOYSA-N |
| Mol Weight | 438.8 g/mol |
| Molecular Formula | C29H58O2 |
| Exact Mass | 438.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVMQz9Xo6x9 |
|---|---|
| Name | I-Propyl 24-methyl-pentacosanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.443681106 u |
| Formula | C29H58O2 |
| InChI | InChI=1S/C29H58O2/c1-27(2)25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-29(30)31-28(3)4/h27-28H,5-26H2,1-4H3 |
| InChIKey | WATGTZQYUUUKDU-UHFFFAOYSA-N |
| Molecular Weight | 438.781 g/mol |
| SMILES | C(CCCCCCCCCCCCCCCCCCCCCC(C)C)C(=O)OC(C)C |