| SpectraBase Compound ID | DkeAd51ZOaK |
|---|---|
| InChI | InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3 |
| InChIKey | KYAKGJDISSNVPZ-UHFFFAOYSA-N |
| Mol Weight | 420.85 g/mol |
| Molecular Formula | C19H21ClN4O5 |
| Exact Mass | 420.120047 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 922f1thn8Nn |
|---|---|
| Name | 7-(2-hydroxyethyl)theophylline, 2-(p-chlorophenoxy)-2-methylpropionate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H21ClN4O5 |
| InChI | InChI=1S/C19H21ClN4O5/c1-19(2,29-13-7-5-12(20)6-8-13)17(26)28-10-9-24-11-21-15-14(24)16(25)23(4)18(27)22(15)3/h5-8,11H,9-10H2,1-4H3 |
| InChIKey | KYAKGJDISSNVPZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30541M |
| Solvent | CDCl3 |