| SpectraBase Compound ID | 15U9CHSsrOb |
|---|---|
| InChI | InChI=1S/C17H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3 |
| InChIKey | QLQIOYAYIHWXBW-UHFFFAOYSA-N |
| Mol Weight | 280.47 g/mol |
| Molecular Formula | C17H28OS |
| Exact Mass | 280.186087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14vci5gExUU |
|---|---|
| Name | 1-Tridecanone, 1-(2-thienyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.186086695 u |
| Formula | C17H28OS |
| InChI | InChI=1S/C17H28OS/c1-2-3-4-5-6-7-8-9-10-11-13-16(18)17-14-12-15-19-17/h12,14-15H,2-11,13H2,1H3 |
| InChIKey | QLQIOYAYIHWXBW-UHFFFAOYSA-N |
| Molecular Weight | 280.470 g/mol |
| SMILES | C=1C=C(C(CCCCCCCCCCCC)=O)SC1 |