| SpectraBase Compound ID | 27FpBI3k2SS |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-16-13(15)9-12(7-8-14)17-10-11-5-3-2-4-6-11/h2-6,12H,7,9-10H2,1H3/t12-/m0/s1 |
| InChIKey | LKMUWEJDPCPWFL-LBPRGKRZSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvPzkShriJV |
|---|---|
| Name | (S)-(+)-methyl 3-o-benzyl-4-cyanobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.105193344 u |
| Formula | C13H15NO3 |
| InChI | InChI=1S/C13H15NO3/c1-16-13(15)9-12(7-8-14)17-10-11-5-3-2-4-6-11/h2-6,12H,7,9-10H2,1H3/t12-/m0/s1 |
| InChIKey | LKMUWEJDPCPWFL-LBPRGKRZSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C(#N)C[C@@](CC(=O)OC)(OCC=1C=CC=CC1)[H] |