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6-(6-Phenylindan-5-yl)-9-tetrahydropyran-2-yl-purine

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6-(6-Phenylindan-5-yl)-9-tetrahydropyran-2-yl-purine
SpectraBase Compound ID 5rv21roP0fj
InChI InChI=1S/C25H24N4O/c1-2-7-17(8-3-1)20-13-18-9-6-10-19(18)14-21(20)23-24-25(27-15-26-23)29(16-28-24)22-11-4-5-12-30-22/h1-3,7-8,13-16,22H,4-6,9-12H2
InChIKey AJSZCOBLJREZKF-UHFFFAOYSA-N
Mol Weight 396.49 g/mol
Molecular Formula C25H24N4O
Exact Mass 396.195011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wxFEPq0svA
Name 6-(6-Phenylindan-5-yl)-9-tetrahydropyran-2-yl-purine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.195011408 u
Formula C25H24N4O
InChI InChI=1S/C25H24N4O/c1-2-7-17(8-3-1)20-13-18-9-6-10-19(18)14-21(20)23-24-25(27-15-26-23)29(16-28-24)22-11-4-5-12-30-22/h1-3,7-8,13-16,22H,4-6,9-12H2
InChIKey AJSZCOBLJREZKF-UHFFFAOYSA-N
Molecular Weight 396.494 g/mol
SMILES C1=NC2=C(N=CN=C2N1C1CCCCO1)C1=CC=2CCCC2C=C1C=1C=CC=CC1