| SpectraBase Compound ID | J18bj15MZaX |
|---|---|
| InChI | InChI=1S/C14H10N2O2/c1-18-14(17)13-9-16-7-6-12(13)11-4-2-10(8-15)3-5-11/h2-7,9H,1H3 |
| InChIKey | IXLZMMUXGVFNBS-UHFFFAOYSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C14H10N2O2 |
| Exact Mass | 238.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AV9LCPv8szX |
|---|---|
| Name | Methyl 4-(4-cyanophenyl)nicotinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.074227568 u |
| Formula | C14H10N2O2 |
| InChI | InChI=1S/C14H10N2O2/c1-18-14(17)13-9-16-7-6-12(13)11-4-2-10(8-15)3-5-11/h2-7,9H,1H3 |
| InChIKey | IXLZMMUXGVFNBS-UHFFFAOYSA-N |
| Molecular Weight | 238.246 g/mol |
| SMILES | C1(=C(C=2C=CC(C#N)=CC2)C=CN=C1)C(=O)OC |