| SpectraBase Compound ID | Z8Jw9Ii1VU |
|---|---|
| InChI | InChI=1S/C13H8F3NO3/c14-13(15,16)9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)17(18)19/h1-8H |
| InChIKey | PYMCMCZNGHSQLC-UHFFFAOYSA-N |
| Mol Weight | 283.21 g/mol |
| Molecular Formula | C13H8F3NO3 |
| Exact Mass | 283.045628 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40G6fx4RHu5 |
|---|---|
| Name | 4'-Nitro-4-trifluoromethyldiphenylether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.045627608 u |
| Formula | C13H8F3NO3 |
| InChI | InChI=1S/C13H8F3NO3/c14-13(15,16)9-1-5-11(6-2-9)20-12-7-3-10(4-8-12)17(18)19/h1-8H |
| InChIKey | PYMCMCZNGHSQLC-UHFFFAOYSA-N |
| Molecular Weight | 283.206 g/mol |
| SMILES | C1=C(C=CC(=C1)C(F)(F)F)OC1=CC=C(C=C1)N(=O)=O |