| SpectraBase Compound ID | FgBYRxVLBqi |
|---|---|
| InChI | InChI=1S/C15H12F3NO3/c1-9-4-3-5-10(2)14(9)22-13-7-6-11(15(16,17)18)8-12(13)19(20)21/h3-8H,1-2H3 |
| InChIKey | ZMHHOFDDRUSSSG-UHFFFAOYSA-N |
| Mol Weight | 311.26 g/mol |
| Molecular Formula | C15H12F3NO3 |
| Exact Mass | 311.076928 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GsVYZ1uiH3 |
|---|---|
| Name | 2-Nitro-alpha,alpha,alpha-trifluoro-p-tolyl 2,6-xylyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.076927736 u |
| Formula | C15H12F3NO3 |
| InChI | InChI=1S/C15H12F3NO3/c1-9-4-3-5-10(2)14(9)22-13-7-6-11(15(16,17)18)8-12(13)19(20)21/h3-8H,1-2H3 |
| InChIKey | ZMHHOFDDRUSSSG-UHFFFAOYSA-N |
| Molecular Weight | 311.260 g/mol |
| SMILES | N(=O)(=O)C=1C=C(C=CC1OC=1C(=CC=CC1C)C)C(F)(F)F |