| SpectraBase Compound ID | 5PTvkjxT0ZC |
|---|---|
| InChI | InChI=1S/C12H14N2O/c1-9(7-8-13)11-3-5-12(6-4-11)14-10(2)15/h3-6,9H,7H2,1-2H3,(H,14,15) |
| InChIKey | VOIQVRFHGROKIH-UHFFFAOYSA-N |
| Mol Weight | 202.26 g/mol |
| Molecular Formula | C12H14N2O |
| Exact Mass | 202.110613 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 | Jsz2AYqmBQI |
|---|---|
| Name | N-(4-(1-Cyanopropan-2-yl)phenyl)acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.110613078 u |
| Formula | C12H14N2O |
| InChI | InChI=1S/C12H14N2O/c1-9(7-8-13)11-3-5-12(6-4-11)14-10(2)15/h3-6,9H,7H2,1-2H3,(H,14,15) |
| InChIKey | VOIQVRFHGROKIH-UHFFFAOYSA-N |
| Molecular Weight | 202.257 g/mol |
| SMILES | C=1C=C(C=CC1NC(C)=O)C(CC#N)C |