| SpectraBase Compound ID | DvFh1gsWPKI |
|---|---|
| InChI | InChI=1S/C18H20O3S/c1-15-10-12-18(13-11-15)22(19,20)21-14-6-7-16(2)17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14H2,1H3 |
| InChIKey | DFHVAGUPIDWQFM-UHFFFAOYSA-N |
| Mol Weight | 316.42 g/mol |
| Molecular Formula | C18H20O3S |
| Exact Mass | 316.113316 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AccPpjdKJjq |
|---|---|
| Name | 4-Phenylpent-4-en-1-yl p-toluenesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.113315675 u |
| Formula | C18H20O3S |
| InChI | InChI=1S/C18H20O3S/c1-15-10-12-18(13-11-15)22(19,20)21-14-6-7-16(2)17-8-4-3-5-9-17/h3-5,8-13H,2,6-7,14H2,1H3 |
| InChIKey | DFHVAGUPIDWQFM-UHFFFAOYSA-N |
| Molecular Weight | 316.415 g/mol |
| SMILES | C=1(C=CC(=CC1)C)S(=O)(=O)OCCCC(=C)C=1C=CC=CC1 |