| SpectraBase Compound ID | Ks50wSP7Pp2 |
|---|---|
| InChI | InChI=1S/C23H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3/b9-8-,12-11-,15-14-,18-17- |
| InChIKey | DAFUJHDDFPOEKD-GKFVBPDJSA-N |
| Mol Weight | 346.6 g/mol |
| Molecular Formula | C23H38O2 |
| Exact Mass | 346.28718 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | nkoCjZ2n5Y |
|---|---|
| Name | Arachidonic acid iso-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.287180462 u |
| Formula | C23H38O2 |
| InChI | InChI=1S/C23H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(24)25-22(2)3/h8-9,11-12,14-15,17-18,22H,4-7,10,13,16,19-21H2,1-3H3/b9-8-,12-11-,15-14-,18-17- |
| InChIKey | DAFUJHDDFPOEKD-GKFVBPDJSA-N |
| Molecular Weight | 346.555 g/mol |
| SMILES | C(OC(C)C)(CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)=O |