| SpectraBase Compound ID | 8MpXgl2oLCR |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h3-8,13H,1-2,9-12H2,(H,15,16)/b7-5+,8-6+ |
| InChIKey | XDHCUBMEDPUFPN-KQQUZDAGSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3glcSWm4ITv |
|---|---|
| Name | Trideca-1,3,10,12-tetraee-7-carboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-3-5-7-9-11-13(14(15)16)12-10-8-6-4-2/h3-8,13H,1-2,9-12H2,(H,15,16)/b7-5+,8-6+ |
| InChIKey | XDHCUBMEDPUFPN-KQQUZDAGSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(=O)(C(CC\C=C\C=C)CC\C=C\C=C)O |