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1-(1-Adamantyl)-2-(4-trifluoromethylphenyl)-1H-indole

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

1-(1-Adamantyl)-2-(4-trifluoromethylphenyl)-1H-indole
SpectraBase Compound ID SVn32mNbr6
InChI InChI=1S/C25H24F3N/c26-25(27,28)21-7-5-19(6-8-21)23-12-20-3-1-2-4-22(20)29(23)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2
InChIKey OCIRTJLTBOWUEQ-UHFFFAOYSA-N
Mol Weight 395.47 g/mol
Molecular Formula C25H24F3N
Exact Mass 395.186084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmPXUfm8N3T
Name 1-(1-Adamantyl)-2-(4-trifluoromethylphenyl)-1H-indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 395.186084266 u
Formula C25H24F3N
InChI InChI=1S/C25H24F3N/c26-25(27,28)21-7-5-19(6-8-21)23-12-20-3-1-2-4-22(20)29(23)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-8,12,16-18H,9-11,13-15H2
InChIKey OCIRTJLTBOWUEQ-UHFFFAOYSA-N
Molecular Weight 395.469 g/mol
SMILES C=1(N(C2=C(C1)C=CC=C2)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C=1C=CC(C(F)(F)F)=CC1