![Cyano-(R)-[(4'-chlorophenyl)methyl]pivaloate](/api/spectrum/Cp5wdY8hz3B/structure.png?h=300&w=458 "Cyano-(R)-[(4'-chlorophenyl)methyl]pivaloate")
| SpectraBase Compound ID | FX0GA4dv9w4 |
|---|---|
| InChI | InChI=1S/C13H14ClNO2/c1-13(2,3)12(16)17-11(8-15)9-4-6-10(14)7-5-9/h4-7,11H,1-3H3/t11-/m1/s1 |
| InChIKey | HNUOLBSMGLAPQU-LLVKDONJSA-N |
| Mol Weight | 251.71 g/mol |
| Molecular Formula | C13H14ClNO2 |
| Exact Mass | 251.071306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cp5wdY8hz3B |
|---|---|
| Name | Cyano-(R)-[(4'-chlorophenyl)methyl]pivaloate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.071306393 u |
| Formula | C13H14ClNO2 |
| InChI | InChI=1S/C13H14ClNO2/c1-13(2,3)12(16)17-11(8-15)9-4-6-10(14)7-5-9/h4-7,11H,1-3H3/t11-/m1/s1 |
| InChIKey | HNUOLBSMGLAPQU-LLVKDONJSA-N |
| Molecular Weight | 251.713 g/mol |
| SMILES | C(O[C@](C#N)(C=1C=CC(=CC1)Cl)[H])(C(C)(C)C)=O |