![4-Bromophenyl 1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl ether](/api/spectrum/8d0LNy91iBv/structure.png?h=300&w=458 "4-Bromophenyl 1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl ether")
| SpectraBase Compound ID | I7xbdwVxEzJ |
|---|---|
| InChI | InChI=1S/C12H9BrN4O/c1-17-11-10(6-16-17)12(15-7-14-11)18-9-4-2-8(13)3-5-9/h2-7H,1H3 |
| InChIKey | IBXLDXWVANGZQD-UHFFFAOYSA-N |
| Mol Weight | 305.14 g/mol |
| Molecular Formula | C12H9BrN4O |
| Exact Mass | 303.995974 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8d0LNy91iBv |
|---|---|
| Name | 4-Bromophenyl 1-methyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.995973925 u |
| Formula | C12H9BrN4O |
| InChI | InChI=1S/C12H9BrN4O/c1-17-11-10(6-16-17)12(15-7-14-11)18-9-4-2-8(13)3-5-9/h2-7H,1H3 |
| InChIKey | IBXLDXWVANGZQD-UHFFFAOYSA-N |
| Molecular Weight | 305.135 g/mol |
| SMILES | C1(OC2=CC=C(C=C2)Br)=C2C(=NC=N1)N(N=C2)C |