| SpectraBase Compound ID | 6maQZVM4105 |
|---|---|
| InChI | InChI=1S/C12H15NO4S/c1-10-2-4-12(5-3-10)18(15,16)17-9-7-11(14)6-8-13/h2-5,11,14H,6-7,9H2,1H3 |
| InChIKey | HFTCZVMWKRAORN-UHFFFAOYSA-N |
| Mol Weight | 269.31 g/mol |
| Molecular Formula | C12H15NO4S |
| Exact Mass | 269.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7sVlX3UMefg |
|---|---|
| Name | 5-(Tosyloxy)-3-hydroxypentane-1-nitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.072179137 u |
| Formula | C12H15NO4S |
| InChI | InChI=1S/C12H15NO4S/c1-10-2-4-12(5-3-10)18(15,16)17-9-7-11(14)6-8-13/h2-5,11,14H,6-7,9H2,1H3 |
| InChIKey | HFTCZVMWKRAORN-UHFFFAOYSA-N |
| SMILES | C=1(S(=O)(=O)OCCC(CC#N)O)C=CC(=CC1)C |