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2-Benzyl-3-(3-trifluoromethylphenyl)-4,5-dihydro-2H-benzo[g]indazole

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2-Benzyl-3-(3-trifluoromethylphenyl)-4,5-dihydro-2H-benzo[g]indazole
SpectraBase Compound ID IzlhlIyw24k
InChI InChI=1S/C25H19F3N2/c26-25(27,28)20-11-6-10-19(15-20)24-22-14-13-18-9-4-5-12-21(18)23(22)29-30(24)16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2
InChIKey XRGWWWSANOSFSS-UHFFFAOYSA-N
Mol Weight 404.44 g/mol
Molecular Formula C25H19F3N2
Exact Mass 404.150033 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1pkdXlBL6fs
Name 2-Benzyl-3-(3-trifluoromethylphenyl)-4,5-dihydro-2H-benzo[G]indazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.150033109 u
Formula C25H19F3N2
InChI InChI=1S/C25H19F3N2/c26-25(27,28)20-11-6-10-19(15-20)24-22-14-13-18-9-4-5-12-21(18)23(22)29-30(24)16-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2
InChIKey XRGWWWSANOSFSS-UHFFFAOYSA-N
Molecular Weight 404.436 g/mol
SMILES C1=2C(=NN(C2C2=CC(C(F)(F)F)=CC=C2)CC=2C=CC=CC2)C=2C(=CC=CC2)CC1