| SpectraBase Compound ID | FH3Z6N5yqB3 |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-17(9-5-11-19(3)15-21(22)23)7-4-8-18(2)10-6-12-20-13-14-24-16-20/h4,7-8,13-14,16-17,19H,5-6,9-12,15H2,1-3H3,(H,22,23)/b7-4+,18-8+/t17-,19-/m0/s1 |
| InChIKey | UVZVFURLBKZRAY-WFEGXJAISA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6a5YBgCXKc |
|---|---|
| Name | 14-(Furan-3-yl)-3,7,11-trimethyltetradeca-8,10-diene-1-oic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-17(9-5-11-19(3)15-21(22)23)7-4-8-18(2)10-6-12-20-13-14-24-16-20/h4,7-8,13-14,16-17,19H,5-6,9-12,15H2,1-3H3,(H,22,23)/b7-4+,18-8+/t17-,19-/m0/s1 |
| InChIKey | UVZVFURLBKZRAY-WFEGXJAISA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | C(=O)(C[C@](CCC[C@](\C=C\C=C\(CCCC1=COC=C1)C)(C)[H])(C)[H])O |