![7-(2,3-dihydroxypropyl)theophylline, bis[(p-chlorophenoxy)acetate]](/api/spectrum/AonQ1Ebc9g/structure.png?h=300&w=458 "7-(2,3-dihydroxypropyl)theophylline, bis[(p-chlorophenoxy)acetate]")
| SpectraBase Compound ID | EFg7STtkkQV |
|---|---|
| InChI | InChI=1S/C26H24Cl2N4O8/c1-30-24-23(25(35)31(2)26(30)36)32(15-29-24)11-20(40-22(34)14-38-19-9-5-17(28)6-10-19)12-39-21(33)13-37-18-7-3-16(27)4-8-18/h3-10,15,20H,11-14H2,1-2H3 |
| InChIKey | MASPOVFZXOCNOE-UHFFFAOYSA-N |
| Mol Weight | 591.4 g/mol |
| Molecular Formula | C26H24Cl2N4O8 |
| Exact Mass | 590.097119 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AonQ1Ebc9g |
|---|---|
| Name | 7-(2,3-dihydroxypropyl)theophylline, bis[(p-chlorophenoxy)acetate] |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C26H24Cl2N4O8 |
| InChI | InChI=1S/C26H24Cl2N4O8/c1-30-24-23(25(35)31(2)26(30)36)32(15-29-24)11-20(40-22(34)14-38-19-9-5-17(28)6-10-19)12-39-21(33)13-37-18-7-3-16(27)4-8-18/h3-10,15,20H,11-14H2,1-2H3 |
| InChIKey | MASPOVFZXOCNOE-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30550M |
| Solvent | CDCl3 |