| SpectraBase Compound ID | BUiYcwTDOHP |
|---|---|
| InChI | InChI=1S/C11H10ClNO2/c1-15-11(14)6-9(7-13)8-2-4-10(12)5-3-8/h2-5,9H,6H2,1H3/t9-/m0/s1 |
| InChIKey | LQFDPZVOVHFIQX-VIFPVBQESA-N |
| Mol Weight | 223.66 g/mol |
| Molecular Formula | C11H10ClNO2 |
| Exact Mass | 223.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPKkxlbthTZ |
|---|---|
| Name | (R)-Methyl 3-(4-chlorophenyl)-3-cyanopropanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.040006264 u |
| Formula | C11H10ClNO2 |
| InChI | InChI=1S/C11H10ClNO2/c1-15-11(14)6-9(7-13)8-2-4-10(12)5-3-8/h2-5,9H,6H2,1H3/t9-/m0/s1 |
| InChIKey | LQFDPZVOVHFIQX-VIFPVBQESA-N |
| Molecular Weight | 223.659 g/mol |
| SMILES | C=1C=C(C=CC1Cl)[C@@](CC(OC)=O)(C#N)[H] |