| SpectraBase Compound ID | LBMqdUds0Dh |
|---|---|
| InChI | InChI=1S/C10H12O3S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2 |
| InChIKey | ZPTNAXBNXGWDMI-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7RdE5oO3r9a |
|---|---|
| Name | 4-Phenylsulfonylbutanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c11-8-4-5-9-14(12,13)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2 |
| InChIKey | ZPTNAXBNXGWDMI-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C=1(S(=O)(=O)CCCC=O)C=CC=CC1 |