| SpectraBase Compound ID | BlkTuEbzfEN |
|---|---|
| InChI | InChI=1S/C12H16OS/c1-3-4-5-10-14(13)12-8-6-11(2)7-9-12/h5-10H,3-4H2,1-2H3/b10-5- |
| InChIKey | QKDUXJACSNRLQT-YHYXMXQVSA-N |
| Mol Weight | 208.32 g/mol |
| Molecular Formula | C12H16OS |
| Exact Mass | 208.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28oEsZz6FzU |
|---|---|
| Name | (Z)-rs-Pent-1-enyl p-tolyl sulfoxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.092186308 u |
| Formula | C12H16OS |
| InChI | InChI=1S/C12H16OS/c1-3-4-5-10-14(13)12-8-6-11(2)7-9-12/h5-10H,3-4H2,1-2H3/b10-5- |
| InChIKey | QKDUXJACSNRLQT-YHYXMXQVSA-N |
| Molecular Weight | 208.319 g/mol |
| SMILES | C1([S@@](\C=C/CCC)=O)=CC=C(C=C1)C |