| SpectraBase Compound ID | 2wSPsNbLuFp |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6-7,9-11H,5,8H2,1-4H3,(H,16,17)/b10-6+,13-9+,14-11+ |
| InChIKey | SDZKOOLLRITKEF-VVAFVYIFSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6muahIogVra |
|---|---|
| Name | (2E,4E,6E)-3,7,11-Trimethyl-2,4,6,10-dodecatetraenoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.161979946 u |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)17/h6-7,9-11H,5,8H2,1-4H3,(H,16,17)/b10-6+,13-9+,14-11+ |
| InChIKey | SDZKOOLLRITKEF-VVAFVYIFSA-N |
| Molecular Weight | 234.339 g/mol |
| SMILES | C(\C=C\(\C=C\C=C\(CCC=C(C)C)C)C)(=O)O |