| SpectraBase Compound ID | 2TGu1AsFZXK |
|---|---|
| InChI | InChI=1S/C12H16O3S/c1-10(2)12(13)8-9-16(14,15)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+ |
| InChIKey | PEXSLQWTOBMNTD-CMDGGOBGSA-N |
| Mol Weight | 240.32 g/mol |
| Molecular Formula | C12H16O3S |
| Exact Mass | 240.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwCXkRSO0Ng |
|---|---|
| Name | 1-Penten-3-ol, 4-methyl-1-(phenylsulfonyl)-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.082015546 u |
| Formula | C12H16O3S |
| InChI | InChI=1S/C12H16O3S/c1-10(2)12(13)8-9-16(14,15)11-6-4-3-5-7-11/h3-10,12-13H,1-2H3/b9-8+ |
| InChIKey | PEXSLQWTOBMNTD-CMDGGOBGSA-N |
| Molecular Weight | 240.317 g/mol |
| SMILES | C(\C=C\S(=O)(=O)C=1C=CC=CC1)(C(C)C)O |