| SpectraBase Compound ID | LZWa2Z9WHiR |
|---|---|
| InChI | InChI=1S/C21H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22-20-21/h16-20H,2-15H2,1H3/b17-16+ |
| InChIKey | XEAUCVWLQBJRAO-WUKNDPDISA-N |
| Mol Weight | 320.6 g/mol |
| Molecular Formula | C21H36S |
| Exact Mass | 320.253772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uWZR61p4ZR |
|---|---|
| Name | 3-(Heptadec-1'-en-1'-yl)thiophene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.253772333 u |
| Formula | C21H36S |
| InChI | InChI=1S/C21H36S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-19-22-20-21/h16-20H,2-15H2,1H3/b17-16+ |
| InChIKey | XEAUCVWLQBJRAO-WUKNDPDISA-N |
| Molecular Weight | 320.579 g/mol |
| SMILES | C=1SC=CC1\C=C\CCCCCCCCCCCCCCC |