![Benzeneacetic acid, .alpha.-[[(4-cyanophenyl)methylene]amino]-, methyl ester](/api/spectrum/IR7ZR2fn8cc/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.-[[(4-cyanophenyl)methylene]amino]-, methyl ester")
| SpectraBase Compound ID | 7LtixJNJrXi |
|---|---|
| InChI | InChI=1S/C17H14N2O2/c1-21-17(20)16(15-5-3-2-4-6-15)19-12-14-9-7-13(11-18)8-10-14/h2-10,12,16H,1H3/b19-12+ |
| InChIKey | QNRVKRVDOHDYEX-XDHOZWIPSA-N |
| Mol Weight | 278.31 g/mol |
| Molecular Formula | C17H14N2O2 |
| Exact Mass | 278.105528 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IR7ZR2fn8cc |
|---|---|
| Name | Benzeneacetic acid, .alpha.-[[(4-cyanophenyl)methylene]amino]-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.105527697 u |
| Formula | C17H14N2O2 |
| InChI | InChI=1S/C17H14N2O2/c1-21-17(20)16(15-5-3-2-4-6-15)19-12-14-9-7-13(11-18)8-10-14/h2-10,12,16H,1H3/b19-12+ |
| InChIKey | QNRVKRVDOHDYEX-XDHOZWIPSA-N |
| SMILES | C(\N=C\C=1C=CC(C#N)=CC1)(C(=O)OC)C=1C=CC=CC1 |