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(3-p-Anisyl-5-phenyl-triazolo[4,5-D]pyrimidin-7-yl)amine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3-p-Anisyl-5-phenyl-triazolo[4,5-D]pyrimidin-7-yl)amine
SpectraBase Compound ID 7iWsTgc5QTu
InChI InChI=1S/C18H16N6O/c1-25-14-9-7-12(8-10-14)11-24-18-15(22-23-24)16(19)20-17(21-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20,21)
InChIKey VHRALLWCOZRRHL-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C18H16N6O
Exact Mass 332.138559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhrDVCllK7e
Name (3-p-Anisyl-5-phenyl-triazolo[4,5-D]pyrimidin-7-yl)amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.138559158 u
Formula C18H16N6O
InChI InChI=1S/C18H16N6O/c1-25-14-9-7-12(8-10-14)11-24-18-15(22-23-24)16(19)20-17(21-18)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,19,20,21)
InChIKey VHRALLWCOZRRHL-UHFFFAOYSA-N
Molecular Weight 332.367 g/mol
SMILES C=1(N=C(C2=C(N1)N(N=N2)CC=1C=CC(=CC1)OC)N)C=1C=CC=CC1