| SpectraBase Compound ID | JK0o4Suqnot |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-9(2)8-15-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3 |
| InChIKey | RYFXHNFLVQQUPO-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 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 | 7cjifr7Ge2E |
|---|---|
| Name | Isobutyl 4-cyano-benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-9(2)8-15-12(14)11-5-3-10(7-13)4-6-11/h3-6,9H,8H2,1-2H3 |
| InChIKey | RYFXHNFLVQQUPO-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C(OC(C=1C=CC(C#N)=CC1)=O)C(C)C |