| SpectraBase Compound ID | DTtYeHKlvvH |
|---|---|
| InChI | InChI=1S/C21H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,13-19H2,1-3H3/b10-9+ |
| InChIKey | MODTVCKMXUORRE-MDZDMXLPSA-N |
| Mol Weight | 317.5 g/mol |
| Molecular Formula | C21H35NO |
| Exact Mass | 317.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BX5ln9VR0wv |
|---|---|
| Name | 4,4-Dimethyl-2-(hexadec-9-en-7-ynyl)-2-oxazoline(trans) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.271864750 u |
| Formula | C21H35NO |
| InChI | InChI=1S/C21H35NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-22-21(2,3)19-23-20/h9-10H,4-8,13-19H2,1-3H3/b10-9+ |
| InChIKey | MODTVCKMXUORRE-MDZDMXLPSA-N |
| Molecular Weight | 317.517 g/mol |
| SMILES | C1(=NC(C)(C)CO1)CCCCCCC#C\C=C\CCCCCC |