![7-{[(3,4-dihydro-2H-1,4-benzothiazin-4-yl)carbonyl]methyl}theophylline](/api/spectrum/CSRL1VHx8XA/structure.png?h=300&w=458 "7-{[(3,4-dihydro-2H-1,4-benzothiazin-4-yl)carbonyl]methyl}theophylline")
| SpectraBase Compound ID | FHwaQ3WjfPU |
|---|---|
| InChI | InChI=1S/C17H17N5O3S/c1-19-15-14(16(24)20(2)17(19)25)21(10-18-15)9-13(23)22-7-8-26-12-6-4-3-5-11(12)22/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | WKHGHTUHGRPIKH-UHFFFAOYSA-N |
| Mol Weight | 371.42 g/mol |
| Molecular Formula | C17H17N5O3S |
| Exact Mass | 371.105211 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSRL1VHx8XA |
|---|---|
| Name | 7-{[3,4-dihydro-2H-1,4-benzothiazin-4-yl)carbonyl]methyl}theophylline |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C17H17N5O3S |
| InChI | InChI=1S/C17H17N5O3S/c1-19-15-14(16(24)20(2)17(19)25)21(10-18-15)9-13(23)22-7-8-26-12-6-4-3-5-11(12)22/h3-6,10H,7-9H2,1-2H3 |
| InChIKey | WKHGHTUHGRPIKH-UHFFFAOYSA-N |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 8986M |
| Sadtler Reference Number | 8986 |
| Solvent | CDCl3 |