| SpectraBase Compound ID | C3Dq7Bb4oC9 |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-11-5-7-12(8-6-11)15(14)10-4-2-3-9-13/h4-10H,2-3H2,1H3/b10-4+ |
| InChIKey | YUQIGTZVZQKZCH-ONNFQVAWSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8jLGp4fM2GH |
|---|---|
| Name | (E)-5-[(R)-(p-Tolylsulfinyl)-4-pentenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.071450863 u |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-11-5-7-12(8-6-11)15(14)10-4-2-3-9-13/h4-10H,2-3H2,1H3/b10-4+ |
| InChIKey | YUQIGTZVZQKZCH-ONNFQVAWSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C=1([S@@](\C=C\CCC=O)=O)C=CC(=CC1)C |