| SpectraBase Compound ID | 1PNGvwph9Fm |
|---|---|
| InChI | InChI=1S/C12H15ClO5S/c1-9-3-5-12(6-4-9)19(15,16)17-8-11(7-13)18-10(2)14/h3-6,11H,7-8H2,1-2H3 |
| InChIKey | PUFMJKGTCYAITN-UHFFFAOYSA-N |
| Mol Weight | 306.76 g/mol |
| Molecular Formula | C12H15ClO5S |
| Exact Mass | 306.032872 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B8mS3ri4Tdj |
|---|---|
| Name | 2-Acetoxy-3-chloropropyl tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.032872452 u |
| Formula | C12H15ClO5S |
| InChI | InChI=1S/C12H15ClO5S/c1-9-3-5-12(6-4-9)19(15,16)17-8-11(7-13)18-10(2)14/h3-6,11H,7-8H2,1-2H3 |
| InChIKey | PUFMJKGTCYAITN-UHFFFAOYSA-N |
| Molecular Weight | 306.760 g/mol |
| SMILES | C(OS(C=1C=CC(=CC1)C)(=O)=O)C(OC(=O)C)CCl |