| SpectraBase Compound ID | BV2MXRUqUW8 |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | QTTZZUJXQPUOTF-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5jnG7lJX5RW |
|---|---|
| Name | Allyl p-tolyl sulfone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-3-8-13(11,12)10-6-4-9(2)5-7-10/h3-7H,1,8H2,2H3 |
| InChIKey | QTTZZUJXQPUOTF-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C=1C(=CC=C(C1)C)S(=O)(=O)CC=C |