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(Benzo[1,3]dioxol-5-ylmethyl)(3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amine

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

(Benzo[1,3]dioxol-5-ylmethyl)(3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)amine
SpectraBase Compound ID DtRmVV8QgOd
InChI InChI=1S/C19H16N6O2/c1-2-4-13(5-3-1)10-25-19-17(23-24-25)18(21-11-22-19)20-9-14-6-7-15-16(8-14)27-12-26-15/h1-8,11H,9-10,12H2,(H,20,21,22)
InChIKey CADDPQYEWFXFGA-UHFFFAOYSA-N
Mol Weight 360.38 g/mol
Molecular Formula C19H16N6O2
Exact Mass 360.133474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ANCpKzTPUp1
Name (Benzo[1,3]dioxol-5-ylmethyl)(3-benzyl-3H-[1,2,3]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 360.133473777 u
Formula C19H16N6O2
InChI InChI=1S/C19H16N6O2/c1-2-4-13(5-3-1)10-25-19-17(23-24-25)18(21-11-22-19)20-9-14-6-7-15-16(8-14)27-12-26-15/h1-8,11H,9-10,12H2,(H,20,21,22)
InChIKey CADDPQYEWFXFGA-UHFFFAOYSA-N
Molecular Weight 360.377 g/mol
SMILES C1=NC(=C2C(=N1)N(CC1=CC=CC=C1)N=N2)NCC1=CC=C2C(=C1)OCO2