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2-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline

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2-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID FToMPBhvsy2
InChI InChI=1S/C20H20N4O2/c1-14-11-15(2)23(21-14)20-12-18(7-8-19(20)24(25)26)22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11-12H,9-10,13H2,1-2H3
InChIKey PNNJMGGZMFGNDB-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C20H20N4O2
Exact Mass 348.158626 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5y2BcsXOD0W
Name 2-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-nitrophenyl]-1,2,3,4-tetrahydroisoquinoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.158625898 u
Formula C20H20N4O2
InChI InChI=1S/C20H20N4O2/c1-14-11-15(2)23(21-14)20-12-18(7-8-19(20)24(25)26)22-10-9-16-5-3-4-6-17(16)13-22/h3-8,11-12H,9-10,13H2,1-2H3
InChIKey PNNJMGGZMFGNDB-UHFFFAOYSA-N
Molecular Weight 348.406 g/mol
SMILES C1(N(=O)=O)=C(C=C(C=C1)N1CC2=C(CC1)C=CC=C2)N1N=C(C)C=C1C