![1-Benzyl-1H-pyrazolo[3,4-D]pyrimidin-4-ol](/api/spectrum/9eokImpTJNT/structure.png?h=300&w=458 "1-Benzyl-1H-pyrazolo[3,4-D]pyrimidin-4-ol")
| SpectraBase Compound ID | Es4Xah8vIRb |
|---|---|
| InChI | InChI=1S/C12H10N4O/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17) |
| InChIKey | ASCMRDPFTNELIK-UHFFFAOYSA-N |
| Mol Weight | 226.24 g/mol |
| Molecular Formula | C12H10N4O |
| Exact Mass | 226.085461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9eokImpTJNT |
|---|---|
| Name | 1-Benzyl-1H-pyrazolo[3,4-D]pyrimidin-4-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.085460957 u |
| Formula | C12H10N4O |
| InChI | InChI=1S/C12H10N4O/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17) |
| InChIKey | ASCMRDPFTNELIK-UHFFFAOYSA-N |
| Molecular Weight | 226.239 g/mol |
| SMILES | C1=NN(C=2C1=C(N=CN2)O)CC1=CC=CC=C1 |