| SpectraBase Compound ID | 9uhX3wd42Yl |
|---|---|
| InChI | InChI=1S/C14H8ClNO2/c15-12-2-1-3-13(8-12)18-14(17)11-6-4-10(9-16)5-7-11/h1-8H |
| InChIKey | VQLVUTBWNXYCLX-UHFFFAOYSA-N |
| Mol Weight | 257.68 g/mol |
| Molecular Formula | C14H8ClNO2 |
| Exact Mass | 257.024356 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 | 5ElWSaBTQAj |
|---|---|
| Name | (3-Chlorophenyl) 4-cyanobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.024356200 u |
| Formula | C14H8ClNO2 |
| InChI | InChI=1S/C14H8ClNO2/c15-12-2-1-3-13(8-12)18-14(17)11-6-4-10(9-16)5-7-11/h1-8H |
| InChIKey | VQLVUTBWNXYCLX-UHFFFAOYSA-N |
| Molecular Weight | 257.676 g/mol |
| SMILES | C(OC=1C=C(Cl)C=CC1)(C=1C=CC(C#N)=CC1)=O |