| SpectraBase Compound ID | KN6zUatEURd |
|---|---|
| InChI | InChI=1S/C21H30S/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+ |
| InChIKey | JGFUGGJYHIKVGT-YEFHWUCQSA-N |
| Mol Weight | 314.53 g/mol |
| Molecular Formula | C21H30S |
| Exact Mass | 314.206822 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HfgNEZSNO6G |
|---|---|
| Name | 1-(Phenylthio)-3,7,11-trimethyl-2,6,10-dodecatriene E,E- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.206822140 u |
| Formula | C21H30S |
| InChI | InChI=1S/C21H30S/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+ |
| InChIKey | JGFUGGJYHIKVGT-YEFHWUCQSA-N |
| SMILES | CC(C)=CCC\C(C)=C\CC\C(C)=C\CSC1=CC=CC=C1 |