![3-Methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde](/api/spectrum/JfQnmW2hkX3/structure.png?h=300&w=458 "3-Methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde")
| SpectraBase Compound ID | IhAIwUeUtpM |
|---|---|
| InChI | InChI=1S/C15H10F3NO5/c1-23-14-6-9(8-20)2-4-13(14)24-12-5-3-10(15(16,17)18)7-11(12)19(21)22/h2-8H,1H3 |
| InChIKey | OSAFDLLORPBBMX-UHFFFAOYSA-N |
| Mol Weight | 341.24 g/mol |
| Molecular Formula | C15H10F3NO5 |
| Exact Mass | 341.051107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JfQnmW2hkX3 |
|---|---|
| Name | 3-Methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.051106910 u |
| Formula | C15H10F3NO5 |
| InChI | InChI=1S/C15H10F3NO5/c1-23-14-6-9(8-20)2-4-13(14)24-12-5-3-10(15(16,17)18)7-11(12)19(21)22/h2-8H,1H3 |
| InChIKey | OSAFDLLORPBBMX-UHFFFAOYSA-N |
| Molecular Weight | 341.242 g/mol |
| SMILES | C(F)(F)(F)C1=CC(=C(C=C1)OC1=C(C=C(C=C1)C=O)OC)N(=O)=O |