| SpectraBase Compound ID | 1PSIdkrfPig |
|---|---|
| InChI | InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h7-12H,4-6,13-20H2,1-3H3/b8-7+,10-9+,12-11- |
| InChIKey | VNHGSWVJKZFDGS-CPIUXLSQSA-N |
| Mol Weight | 331.5 g/mol |
| Molecular Formula | C22H37NO |
| Exact Mass | 331.287515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2uyNaz6UNv |
|---|---|
| Name | .alpha.-Eleostearic acid, oxazoline deriv. |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.287514814 u |
| Formula | C22H37NO |
| InChI | InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22(2,3)20-24-21/h7-12H,4-6,13-20H2,1-3H3/b8-7+,10-9+,12-11- |
| InChIKey | VNHGSWVJKZFDGS-CPIUXLSQSA-N |
| Molecular Weight | 331.544 g/mol |
| SMILES | C=1(OCC(N1)(C)C)CCCCCCC\C=C/C=C/C=C/CCCC |