![5-[bis(2-chloroethyl)amino]resorcinol, trifluoroacetate (1:1) (solvate)](/api/spectrum/ByXvQvYx7Vf/structure.png?h=300&w=458 "5-[bis(2-chloroethyl)amino]resorcinol, trifluoroacetate (1:1) (solvate)")
| SpectraBase Compound ID | AgDop4RGfIb |
|---|---|
| InChI | InChI=1S/C10H13Cl2NO2.C2HF3O2/c11-1-3-13(4-2-12)8-5-9(14)7-10(15)6-8;3-2(4,5)1(6)7/h5-7,14-15H,1-4H2;(H,6,7) |
| InChIKey | HEJHDCJORBQCDF-UHFFFAOYSA-N |
| Mol Weight | 364.148 g/mol |
| Molecular Formula | C12H14Cl2F3NO4 |
| Exact Mass | 363.025198 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ByXvQvYx7Vf |
|---|---|
| Name | 5-[bis(2-chloroethyl)amino]resorcinol, trifluoroacetate (1:1) (solvate) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14Cl2F3NO4 |
| InChI | InChI=1S/C10H13Cl2NO2.C2HF3O2/c11-1-3-13(4-2-12)8-5-9(14)7-10(15)6-8;3-2(4,5)1(6)7/h5-7,14-15H,1-4H2;(H,6,7) |
| InChIKey | HEJHDCJORBQCDF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 25821M |
| Solvent | Polysol-d |