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4-Fluoranyl-N-[[3-[[(4-fluorophenyl)carbonylamino]methyl]-1-adamantyl]methyl]benzamide
SpectraBase Compound ID JajJvjDiITM
InChI InChI=1S/C26H28F2N2O2/c27-21-5-1-19(2-6-21)23(31)29-15-25-10-17-9-18(11-25)13-26(12-17,14-25)16-30-24(32)20-3-7-22(28)8-4-20/h1-8,17-18H,9-16H2,(H,29,31)(H,30,32)/t17-,18+,25+,26-
InChIKey KMGIWGQYEGNKHY-SLWLCGIFSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H28F2N2O2
Exact Mass 438.211884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGMfAUns87A
Name 4-Fluoranyl-N-[[3-[[(4-fluorophenyl)carbonylamino]methyl]-1-adamantyl]methyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H28F2N2O2
InChI InChI=1S/C26H28F2N2O2/c27-21-5-1-19(2-6-21)23(31)29-15-25-10-17-9-18(11-25)13-26(12-17,14-25)16-30-24(32)20-3-7-22(28)8-4-20/h1-8,17-18H,9-16H2,(H,29,31)(H,30,32)/t17-,18+,25+,26-
InChIKey KMGIWGQYEGNKHY-SLWLCGIFSA-N
Molecular Weight 438.519 g/mol
SMILES N(C(c1ccc(cc1)F)=O)C[C@]12C[C@]3(CNC(c4ccc(cc4)F)=O)C[C@](C1)(C[C@@](C3)(C2)[H])[H]
SPLASH splash10-00dr-4950000000-606f699d9063167b8559
Synonyms 4-Fluoro-N-[[3-[[[(4-fluorophenyl)-oxomethyl]amino]methyl]-1-adamantyl]methyl]benzamide
Wiley ID 1442970