| SpectraBase Compound ID | 5aGyguBizoC |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-9,16-28H2,1H3,(H,30,31) |
| InChIKey | RGQRKXNGLNVHFP-UHFFFAOYSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 74lPrByctcj |
|---|---|
| Name | 10,12,14-Nonacosatriynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.349780719 u |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31/h2-9,16-28H2,1H3,(H,30,31) |
| InChIKey | RGQRKXNGLNVHFP-UHFFFAOYSA-N |
| Molecular Weight | 426.685 g/mol |
| SMILES | CCCCCCCCCC#CC#CC#CCCCCCCCCCCCCCC(=O)O |