| SpectraBase Compound ID | 5j3sxAKeCcx |
|---|---|
| InChI | InChI=1S/C13H15NO2/c1-13(2)15-11(12(9-14)16-13)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3 |
| InChIKey | SEBHKZSNHIGYJM-UHFFFAOYSA-N |
| Mol Weight | 217.27 g/mol |
| Molecular Formula | C13H15NO2 |
| Exact Mass | 217.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tfAZGAclzi |
|---|---|
| Name | (2S,3S)-5-Benzyl-4-cyano-2,2-dimethyl-1,3-dioxolane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.110278725 u |
| Formula | C13H15NO2 |
| InChI | InChI=1S/C13H15NO2/c1-13(2)15-11(12(9-14)16-13)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3 |
| InChIKey | SEBHKZSNHIGYJM-UHFFFAOYSA-N |
| Molecular Weight | 217.268 g/mol |
| SMILES | C1(OC(C#N)C(O1)CC=1C=CC=CC1)(C)C |