| SpectraBase Compound ID | BazVbuUpaoU |
|---|---|
| InChI | InChI=1S/C20H13IN2O2/c21-16-5-7-17(8-6-16)23-20(24)15-3-11-19(12-4-15)25-18-9-1-14(13-22)2-10-18/h1-12H,(H,23,24) |
| InChIKey | FJNHNIGENKJYKG-UHFFFAOYSA-N |
| Mol Weight | 440.24 g/mol |
| Molecular Formula | C20H13IN2O2 |
| Exact Mass | 440.002173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0dUiqdQ2bO |
|---|---|
| Name | 4-(4-Cyano-phenoxy)-N-(4-iodo-phenyl)-benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.002172665 u |
| Formula | C20H13IN2O2 |
| InChI | InChI=1S/C20H13IN2O2/c21-16-5-7-17(8-6-16)23-20(24)15-3-11-19(12-4-15)25-18-9-1-14(13-22)2-10-18/h1-12H,(H,23,24) |
| InChIKey | FJNHNIGENKJYKG-UHFFFAOYSA-N |
| Molecular Weight | 440.240 g/mol |
| SMILES | C1(OC2=CC=C(C=C2)C#N)=CC=C(C=C1)C(NC1=CC=C(I)C=C1)=O |