| SpectraBase Compound ID | 8DSuR9zXBHD |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-3-4-6-9-12(14)10-7-5-8-11-13(15)16-2/h3,8,11H,1,4-7,9-10H2,2H3/b11-8+ |
| InChIKey | YNFAALGTYCZCOA-DHZHZOJOSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 23IcdDWIrhI |
|---|---|
| Name | Methyl 6-oxododeca-1,10-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-3-4-6-9-12(14)10-7-5-8-11-13(15)16-2/h3,8,11H,1,4-7,9-10H2,2H3/b11-8+ |
| InChIKey | YNFAALGTYCZCOA-DHZHZOJOSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | C(\C=C\CCCC(=O)CCCC=C)(=O)OC |