![7-{2-[(b-3,4-trihydroxyphenethyl)amino]ethyl}theophylline, monohydrochloride](/api/spectrum/EwR4VLMdqKW/structure.png?h=300&w=458 "7-{2-[(b-3,4-trihydroxyphenethyl)amino]ethyl}theophylline, monohydrochloride")
| SpectraBase Compound ID | Eori7JbUzSH |
|---|---|
| InChI | InChI=1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H |
| InChIKey | CSKCJAUXLOQTMM-UHFFFAOYSA-N |
| Mol Weight | 411.85 g/mol |
| Molecular Formula | C17H22ClN5O5 |
| Exact Mass | 411.130947 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwR4VLMdqKW |
|---|---|
| Name | 7-{2-[(b-3,4-trihydroxyphenethyl)amino]ethyl}theophylline, monohydrochloride |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H22ClN5O5 |
| InChI | InChI=1S/C17H21N5O5.ClH/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10;/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3;1H |
| InChIKey | CSKCJAUXLOQTMM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 28809M |
| Solvent | Polysol |