| SpectraBase Compound ID | DhHdg74Wfha |
|---|---|
| InChI | InChI=1S/C14H8F5NO3/c1-6-4-7(2-3-9(6)20(21)22)23-5-8-10(15)12(17)14(19)13(18)11(8)16/h2-4H,5H2,1H3 |
| InChIKey | WDUOVUNTQFSXIO-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C14H8F5NO3 |
| Exact Mass | 333.042434 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 | BXLFYAydtLK |
|---|---|
| Name | 3-Methyl-4-nitrophenyl pentafluorobenzyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.042433934 u |
| Formula | C14H8F5NO3 |
| InChI | InChI=1S/C14H8F5NO3/c1-6-4-7(2-3-9(6)20(21)22)23-5-8-10(15)12(17)14(19)13(18)11(8)16/h2-4H,5H2,1H3 |
| InChIKey | WDUOVUNTQFSXIO-UHFFFAOYSA-N |
| Molecular Weight | 333.214 g/mol |
| SMILES | C1(OCC2=C(C(=C(C(=C2F)F)F)F)F)=CC(=C(C=C1)N(=O)=O)C |