| SpectraBase Compound ID | DOaV4GclVm0 |
|---|---|
| InChI | InChI=1S/2C6H7N.C4H2F4O4/c2*7-6-4-2-1-3-5-6;5-3(6,1(9)10)4(7,8)2(11)12/h2*1-5H,7H2;(H,9,10)(H,11,12) |
| InChIKey | JVJSBSRIYRQEHD-UHFFFAOYSA-N |
| Mol Weight | 376.31 g/mol |
| Molecular Formula | C16H16F4N2O4 |
| Exact Mass | 376.10462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Eb4gTPVDfrR |
|---|---|
| Name | Dianilinium tetrafluorosuccinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.104619651 u |
| Formula | C16H16F4N2O4 |
| InChI | InChI=1S/2C6H7N.C4H2F4O4/c2*7-6-4-2-1-3-5-6;5-3(6,1(9)10)4(7,8)2(11)12/h2*1-5H,7H2;(H,9,10)(H,11,12) |
| InChIKey | JVJSBSRIYRQEHD-UHFFFAOYSA-N |
| Molecular Weight | 376.308 g/mol |
| SMILES | c1(ccccc1)[NH3+].C(C(F)(F)C(C(=O)[O-])(F)F)(=O)[O-].c1ccc(cc1)[NH3+] |