| SpectraBase Compound ID | FIfKzt3CsiX |
|---|---|
| InChI | InChI=1S/C22H14F14N2O2/c1-9-7-11(3-5-13(9)37-15(39)17(23,24)19(27,28)21(31,32)33)12-4-6-14(10(2)8-12)38-16(40)18(25,26)20(29,30)22(34,35)36/h3-8H,1-2H3,(H,37,39)(H,38,40) |
| InChIKey | ODYOKYGLBCJSGL-UHFFFAOYSA-N |
| Mol Weight | 604.34 g/mol |
| Molecular Formula | C22H14F14N2O2 |
| Exact Mass | 604.083172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPH4jPXwPsJ |
|---|---|
| Name | o-Tolidine, N,N'-bis(heptafluorobutyryl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 604.083171979 u |
| Formula | C22H14F14N2O2 |
| InChI | InChI=1S/C22H14F14N2O2/c1-9-7-11(3-5-13(9)37-15(39)17(23,24)19(27,28)21(31,32)33)12-4-6-14(10(2)8-12)38-16(40)18(25,26)20(29,30)22(34,35)36/h3-8H,1-2H3,(H,37,39)(H,38,40) |
| InChIKey | ODYOKYGLBCJSGL-UHFFFAOYSA-N |
| Molecular Weight | 604.344 g/mol |
| SMILES | C1(C2=CC(=C(C=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)=CC(=C(C=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C |