| SpectraBase Compound ID | wA2aNbhF6w |
|---|---|
| InChI | InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h14-15H,3-13,16-22H2,1-2H3/b15-14+ |
| InChIKey | NVCSYLJPLYJUNW-CCEZHUSRSA-N |
| Mol Weight | 352.6 g/mol |
| Molecular Formula | C23H44O2 |
| Exact Mass | 352.334131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ESqlJ0V0y8 |
|---|---|
| Name | Brassidic acid me P1224 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.334130655 u |
| Formula | C23H44O2 |
| InChI | InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h14-15H,3-13,16-22H2,1-2H3/b15-14+ |
| InChIKey | NVCSYLJPLYJUNW-CCEZHUSRSA-N |
| Molecular Weight | 352.603 g/mol |
| SMILES | CCCCCCCCCCCC\C=C\CCCCCCCC(OC)=O |