| SpectraBase Compound ID | 8qa500AeEE0 |
|---|---|
| InChI | InChI=1S/C22H38OS/c1-2-3-4-5-6-7-8-9-10-14-19-24-20-15-18-23-21-22-16-12-11-13-17-22/h11-13,16-17H,2-10,14-15,18-21H2,1H3 |
| InChIKey | HPHMFOQXSQQMKM-UHFFFAOYSA-N |
| Mol Weight | 350.6 g/mol |
| Molecular Formula | C22H38OS |
| Exact Mass | 350.264337 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7w0xJZ9lo3V |
|---|---|
| Name | 3-Dodecylsulfanylprop-1-yl benzyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.264337017 u |
| Formula | C22H38OS |
| InChI | InChI=1S/C22H38OS/c1-2-3-4-5-6-7-8-9-10-14-19-24-20-15-18-23-21-22-16-12-11-13-17-22/h11-13,16-17H,2-10,14-15,18-21H2,1H3 |
| InChIKey | HPHMFOQXSQQMKM-UHFFFAOYSA-N |
| Molecular Weight | 350.605 g/mol |
| SMILES | C(SCCCOCC1=CC=CC=C1)CCCCCCCCCCC |