| SpectraBase Compound ID | 9jbSrxei4zf |
|---|---|
| InChI | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
| InChIKey | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
| Mol Weight | 214.61 g/mol |
| Molecular Formula | C7H7ClN4O2 |
| Exact Mass | 214.025753 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E6TIGg2s54R |
|---|---|
| Name | 8-chlorotheophylline |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Comments | NH unobserved |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H7ClN4O2 |
| InChI | InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10) |
| InChIKey | RYIGNEOBDRVTHA-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 2184M |
| Solvent | TFA |
| Synonyms | THEOPHYLLINE, 8-CHLORO-, |