![Cyano-[(4'-methoxyphenyl)methyl] butyrate](/api/spectrum/ILHKLI1Xt37/structure.png?h=300&w=458 "Cyano-[(4'-methoxyphenyl)methyl] butyrate")
| SpectraBase Compound ID | 3KyNGQJnl8E |
|---|---|
| InChI | InChI=1S/C13H15NO3/c1-3-4-13(15)17-12(9-14)10-5-7-11(16-2)8-6-10/h5-8,12H,3-4H2,1-2H3 |
| InChIKey | SVVIMJSSCAVRCY-UHFFFAOYSA-N |
| Mol Weight | 233.27 g/mol |
| Molecular Formula | C13H15NO3 |
| Exact Mass | 233.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | ILHKLI1Xt37 |
|---|---|
| Name | Cyano-[(4'-methoxyphenyl)methyl] butyrate |
| 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/c1-3-4-13(15)17-12(9-14)10-5-7-11(16-2)8-6-10/h5-8,12H,3-4H2,1-2H3 |
| InChIKey | SVVIMJSSCAVRCY-UHFFFAOYSA-N |
| Molecular Weight | 233.267 g/mol |
| SMILES | C(#N)C(OC(=O)CCC)C=1C=CC(=CC1)OC |