| SpectraBase Compound ID | AFf7SCAVFkz |
|---|---|
| InChI | InChI=1S/C23H20Cl2N4O6/c1-27-19-18(20(30)28(2)23(27)32)29(13-26-19)11-12-33-21(31)22(34-16-7-3-14(24)4-8-16)35-17-9-5-15(25)6-10-17/h3-10,13,22H,11-12H2,1-2H3 |
| InChIKey | YPCUCNGLKBAUBG-UHFFFAOYSA-N |
| Mol Weight | 519.34 g/mol |
| Molecular Formula | C23H20Cl2N4O6 |
| Exact Mass | 518.07599 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9MwC7K4t33S |
|---|---|
| Name | 7-(2-hydroxyethyl)theophylline, bis(p-chlorophenoxy)acetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H20Cl2N4O6 |
| InChI | InChI=1S/C23H20Cl2N4O6/c1-27-19-18(20(30)28(2)23(27)32)29(13-26-19)11-12-33-21(31)22(34-16-7-3-14(24)4-8-16)35-17-9-5-15(25)6-10-17/h3-10,13,22H,11-12H2,1-2H3 |
| InChIKey | YPCUCNGLKBAUBG-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30540M |
| Solvent | CDCl3 |