| SpectraBase Compound ID | 4imtPjgpix8 |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+ |
| InChIKey | JABFJGMKUVJZPC-BQYQJAHWSA-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 | AqO95yt2qL3 |
|---|---|
| Name | 3-Buten-2-ol, 4-(phenylsulfonyl)-, (E)- |
| 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/c1-9(11)7-8-14(12,13)10-5-3-2-4-6-10/h2-9,11H,1H3/b8-7+ |
| InChIKey | JABFJGMKUVJZPC-BQYQJAHWSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C(\C=C\S(=O)(=O)C=1C=CC=CC1)(O)C |