![7-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate](/api/spectrum/Ld2g73CCR4I/structure.png?h=300&w=458 "7-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate")
| SpectraBase Compound ID | 5QBy6BG6ZoQ |
|---|---|
| InChI | InChI=1S/C16H16FN5O2.C7H8O3S/c1-21-14(18)13-15(20-16(21)24)19-9-22(13)8-2-3-12(23)10-4-6-11(17)7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9,18H,2-3,8H2,1H3,(H,20,24);2-5H,1H3,(H,8,9,10) |
| InChIKey | FZTXHDTXGGEFBF-UHFFFAOYSA-N |
| Mol Weight | 501.53 g/mol |
| Molecular Formula | C23H24FN5O5S |
| Exact Mass | 501.148218 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ld2g73CCR4I |
|---|---|
| Name | 7-[3-(p-fluorobenzoyl)propyl]-1-methylisoguanine, p-toluenesulfonate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H24FN5O5S |
| InChI | InChI=1S/C16H16FN5O2.C7H8O3S/c1-21-14(18)13-15(20-16(21)24)19-9-22(13)8-2-3-12(23)10-4-6-11(17)7-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,9,18H,2-3,8H2,1H3,(H,20,24);2-5H,1H3,(H,8,9,10) |
| InChIKey | FZTXHDTXGGEFBF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43098M |
| Solvent | Polysol-d |