| SpectraBase Compound ID | 7BCLp1zgt6h |
|---|---|
| InChI | InChI=1S/C11H20O2S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey | NSUXHIBTNLXYTG-AATRIKPKSA-N |
| Mol Weight | 216.34 g/mol |
| Molecular Formula | C11H20O2S |
| Exact Mass | 216.118401 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LE2Kg0LsrHj |
|---|---|
| Name | 2-(Ethoxycarbonyl)ethyl hex-3-en-1-yl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.118401056 u |
| Formula | C11H20O2S |
| InChI | InChI=1S/C11H20O2S/c1-3-5-6-7-9-14-10-8-11(12)13-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey | NSUXHIBTNLXYTG-AATRIKPKSA-N |
| Molecular Weight | 216.339 g/mol |
| SMILES | C(CCSCC\C=C\CC)(=O)OCC |