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7-Benzyl-6-[(2-trifluoromethyl)benzyl]naphtho[b]pyrrole

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7-Benzyl-6-[(2-trifluoromethyl)benzyl]naphtho[b]pyrrole
SpectraBase Compound ID Kp0v9xJQ3BZ
InChI InChI=1S/C27H22F3N/c28-27(29,30)22-11-6-9-20(15-22)16-23-17-25-24-12-5-4-10-21(24)13-14-26(25)31(23)18-19-7-2-1-3-8-19/h1-12,15,17H,13-14,16,18H2
InChIKey ORWDUQDJLVNAQQ-UHFFFAOYSA-N
Mol Weight 417.48 g/mol
Molecular Formula C27H22F3N
Exact Mass 417.170434 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0bPUAr9yQz
Name 7-Benzyl-6-[(2-trifluoromethyl)benzyl]naphtho[B]pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.170434201 u
Formula C27H22F3N
InChI InChI=1S/C27H22F3N/c28-27(29,30)22-11-6-9-20(15-22)16-23-17-25-24-12-5-4-10-21(24)13-14-26(25)31(23)18-19-7-2-1-3-8-19/h1-12,15,17H,13-14,16,18H2
InChIKey ORWDUQDJLVNAQQ-UHFFFAOYSA-N
Molecular Weight 417.475 g/mol
SMILES C12=C(N(CC3=CC=CC=C3)C(=C1)CC1=CC(C(F)(F)F)=CC=C1)CCC1=C2C=CC=C1