| SpectraBase Compound ID | 4oveFTaI3ek |
|---|---|
| InChI | InChI=1S/C11H11NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h3-7H,1-2H3/t11-/m0/s1 |
| InChIKey | YSBLMHQWCQTPMT-NSHDSACASA-N |
| Mol Weight | 189.21 g/mol |
| Molecular Formula | C11H11NO2 |
| Exact Mass | 189.078979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1J6Yw1GRgTk |
|---|---|
| Name | (R)-(-)-2-acetoxy-2-phenylpropanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 189.078978596 u |
| Formula | C11H11NO2 |
| InChI | InChI=1S/C11H11NO2/c1-9(13)14-11(2,8-12)10-6-4-3-5-7-10/h3-7H,1-2H3/t11-/m0/s1 |
| InChIKey | YSBLMHQWCQTPMT-NSHDSACASA-N |
| Molecular Weight | 189.214 g/mol |
| SMILES | [C@](C#N)(OC(=O)C)(C=1C=CC=CC1)C |