![7-{3-[(b,3,5-trihydroxyphenethyl)amino]propyl}theophylline, monohydrochloride](/api/spectrum/9xGj4XolSKN/structure.png?h=300&w=458 "7-{3-[(b,3,5-trihydroxyphenethyl)amino]propyl}theophylline, monohydrochloride")
| SpectraBase Compound ID | CNjf5G5Eg4W |
|---|---|
| InChI | InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H |
| InChIKey | XSFWDHONRBZVEJ-UHFFFAOYSA-N |
| Mol Weight | 425.87 g/mol |
| Molecular Formula | C18H24ClN5O5 |
| Exact Mass | 425.146597 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9xGj4XolSKN |
|---|---|
| Name | 7-{3-[(b,3,5-trihydroxyphenethyl)amino]propyl}theophylline, monohydrochloride |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H24ClN5O5 |
| InChI | InChI=1S/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H |
| InChIKey | XSFWDHONRBZVEJ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28811M |
| Solvent | Polysol |