| SpectraBase Compound ID | AVVFaTDRel6 |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-10(15)17-9-12(8-14)7-11-3-5-13(16-2)6-4-11/h3-6,12H,7,9H2,1-2H3 |
| InChIKey | MFKAYUAIWPMBNP-UHFFFAOYSA-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 | 8HayH1c75lx |
|---|---|
| Name | (R)-1-Acetoxy-2-cyano-3-(p-anisyl)propane |
| 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/c1-10(15)17-9-12(8-14)7-11-3-5-13(16-2)6-4-11/h3-6,12H,7,9H2,1-2H3 |
| InChIKey | MFKAYUAIWPMBNP-UHFFFAOYSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C1(OC)=CC=C(C[C@](C#N)(COC(C)=O)[H])C=C1 |