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2-[[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]amino]benzonitrile
SpectraBase Compound ID JNP89rwjd5A
InChI InChI=1S/C26H30N2O/c1-29-23-8-6-21(7-9-23)25(28-24-5-3-2-4-22(24)17-27)16-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20,25,28H,10-16H2,1H3/t18-,19+,20-,25?,26-
InChIKey TZVBWFMLQSEVAL-HRWVEFQVSA-N
Mol Weight 386.54 g/mol
Molecular Formula C26H30N2O
Exact Mass 386.235814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VvbhqtPCoT
Name 2-[[2-(1-adamantyl)-1-(4-methoxyphenyl)ethyl]amino]benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O
InChI InChI=1S/C26H30N2O/c1-29-23-8-6-21(7-9-23)25(28-24-5-3-2-4-22(24)17-27)16-26-13-18-10-19(14-26)12-20(11-18)15-26/h2-9,18-20,25,28H,10-16H2,1H3/t18-,19+,20-,25?,26-
InChIKey TZVBWFMLQSEVAL-HRWVEFQVSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 386.539 g/mol
Reported Formula C26H31N2O
SMILES N(C(CC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])c1ccc(cc1)OC)c1ccccc1C#N
SPLASH splash10-000i-0960000000-280347c1f411962a488e
Source of Spectrum CN108707081A
Wiley ID 1872496