| SpectraBase Compound ID | CQCfYSY6Tmz |
|---|---|
| InChI | InChI=1S/C13H14N2O3/c1-10(16)15(11(2)17)7-8-18-13-5-3-12(9-14)4-6-13/h3-6H,7-8H2,1-2H3 |
| InChIKey | VAEIKRDAELPFQB-UHFFFAOYSA-N |
| Mol Weight | 246.27 g/mol |
| Molecular Formula | C13H14N2O3 |
| Exact Mass | 246.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ASIQa2jiG1 |
|---|---|
| Name | 4-(2-Aminoethoxy)benzonitrile, N,N-diacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.100442316 u |
| Formula | C13H14N2O3 |
| InChI | InChI=1S/C13H14N2O3/c1-10(16)15(11(2)17)7-8-18-13-5-3-12(9-14)4-6-13/h3-6H,7-8H2,1-2H3 |
| InChIKey | VAEIKRDAELPFQB-UHFFFAOYSA-N |
| Molecular Weight | 246.266 g/mol |
| SMILES | C(N(C(=O)C)C(=O)C)COC1=CC=C(C=C1)C#N |