| SpectraBase Compound ID | GC0bi2T48uC |
|---|---|
| InChI | InChI=1S/C29H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)32-28-27-30/h2-26,28H2,1H3 |
| InChIKey | JOZJRCJFSFYJKN-UHFFFAOYSA-N |
| Mol Weight | 449.8 g/mol |
| Molecular Formula | C29H55NO2 |
| Exact Mass | 449.42328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Q4AdntcCVy |
|---|---|
| Name | Heptacosanoic acid, cyanomethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 449.423280013 u |
| Formula | C29H55NO2 |
| InChI | InChI=1S/C29H55NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29(31)32-28-27-30/h2-26,28H2,1H3 |
| InChIKey | JOZJRCJFSFYJKN-UHFFFAOYSA-N |
| Molecular Weight | 449.764 g/mol |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCC(OCC#N)=O |