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[1,2,4]Triazolo[3,4-a]phthalazine, 3-(5-phenyl-1H-pyrazol-3-yl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

[1,2,4]Triazolo[3,4-a]phthalazine, 3-(5-phenyl-1H-pyrazol-3-yl)-
SpectraBase Compound ID GW4BxPSe5H9
InChI InChI=1S/C18H12N6/c1-2-6-12(7-3-1)15-10-16(21-20-15)18-23-22-17-14-9-5-4-8-13(14)11-19-24(17)18/h1-11H,(H,20,21)
InChIKey LRNDATBWTJJROJ-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C18H12N6
Exact Mass 312.112344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLXvvGc9qsv
Name [1,2,4]Triazolo[3,4-A]phthalazine, 3-(5-phenyl-1H-pyrazol-3-yl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.112344410 u
Formula C18H12N6
InChI InChI=1S/C18H12N6/c1-2-6-12(7-3-1)15-10-16(21-20-15)18-23-22-17-14-9-5-4-8-13(14)11-19-24(17)18/h1-11H,(H,20,21)
InChIKey LRNDATBWTJJROJ-UHFFFAOYSA-N
Molecular Weight 312.336 g/mol
SMILES C=1C=2C(=CC=CC2)C2=NN=C(C=3C=C(NN3)C3=CC=CC=C3)N2N1