| SpectraBase Compound ID | ACcoP97bU34 |
|---|---|
| InChI | InChI=1S/C18H26S/c1-3-5-6-7-8-9-11-14-17(4-2)19-18-15-12-10-13-16-18/h4,10,12-16H,2-3,5-9,11H2,1H3/b17-14- |
| InChIKey | JQIQPICGFNHKGW-VKAVYKQESA-N |
| Mol Weight | 274.47 g/mol |
| Molecular Formula | C18H26S |
| Exact Mass | 274.175522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAsTxubtoPz |
|---|---|
| Name | (Z)-3-(Phenylthio)-1,3-dodecadiene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.175522011 u |
| Formula | C18H26S |
| InChI | InChI=1S/C18H26S/c1-3-5-6-7-8-9-11-14-17(4-2)19-18-15-12-10-13-16-18/h4,10,12-16H,2-3,5-9,11H2,1H3/b17-14- |
| InChIKey | JQIQPICGFNHKGW-VKAVYKQESA-N |
| Molecular Weight | 274.466 g/mol |
| SMILES | C=1(S\C(C=C)=C\CCCCCCCC)C=CC=CC1 |