| SpectraBase Compound ID | C1hghaKsFjL |
|---|---|
| InChI | InChI=1S/C16H22O3S/c1-3-5-15(17)19-16-14(6-4-11-18-16)20-13-9-7-12(2)8-10-13/h7-10,14,16H,3-6,11H2,1-2H3 |
| InChIKey | IXCUQUUNSJGXHL-UHFFFAOYSA-N |
| Mol Weight | 294.41 g/mol |
| Molecular Formula | C16H22O3S |
| Exact Mass | 294.128966 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 | 8ilhJZg8RDu |
|---|---|
| Name | 2-Butanoyloxy-3-(p-tolylthio)tetrahydropyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.128965739 u |
| Formula | C16H22O3S |
| InChI | InChI=1S/C16H22O3S/c1-3-5-15(17)19-16-14(6-4-11-18-16)20-13-9-7-12(2)8-10-13/h7-10,14,16H,3-6,11H2,1-2H3 |
| InChIKey | IXCUQUUNSJGXHL-UHFFFAOYSA-N |
| SMILES | C1(OC(=O)CCC)C(SC2=CC=C(C=C2)C)CCCO1 |