| SpectraBase Compound ID | JBqyjt4TYtq |
|---|---|
| InChI | InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3 |
| InChIKey | YMCNTAHTWKEECY-UHFFFAOYSA-N |
| Mol Weight | 422.83 g/mol |
| Molecular Formula | C18H19ClN4O6 |
| Exact Mass | 422.099312 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DrsI0C26VXs |
|---|---|
| Name | 7-(2,3-dihydroxypropyl)theophylline, 3-(p-chlorophenoxy)acetate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H19ClN4O6 |
| InChI | InChI=1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3 |
| InChIKey | YMCNTAHTWKEECY-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30549M |
| Solvent | CDCl3 |