| SpectraBase Compound ID | 2oAYRWDwd8J |
|---|---|
| InChI | InChI=1S/C16H12N2O2/c1-11(19)12-6-8-13(9-7-12)16(20)18-15-5-3-2-4-14(15)10-17/h2-9H,1H3,(H,18,20) |
| InChIKey | XMUUOLONFLVXPN-UHFFFAOYSA-N |
| Mol Weight | 264.28 g/mol |
| Molecular Formula | C16H12N2O2 |
| Exact Mass | 264.089878 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DIP8Zghddi2 |
|---|---|
| Name | 4 -A C E T Y L -N -(2 -C Y A N o p H E N Y L) B E N Z A m I D E |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.089877632 u |
| Formula | C16H12N2O2 |
| InChI | InChI=1S/C16H12N2O2/c1-11(19)12-6-8-13(9-7-12)16(20)18-15-5-3-2-4-14(15)10-17/h2-9H,1H3,(H,18,20) |
| InChIKey | XMUUOLONFLVXPN-UHFFFAOYSA-N |
| Molecular Weight | 264.284 g/mol |
| SMILES | C(NC=1C(C#N)=CC=CC1)(C1=CC=C(C=C1)C(=O)C)=O |