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N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]-1-adamantanecarboxamide

View entire compound with spectra: 1 MS (GC)

N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]-1-adamantanecarboxamide
SpectraBase Compound ID He1LnffaDdP
InChI InChI=1S/C30H34F3NO2/c31-30(32,33)24-8-11-27(36-25-9-6-23(7-10-25)22-4-2-1-3-5-22)26(15-24)34-28(35)29-16-19-12-20(17-29)14-21(13-19)18-29/h6-11,15,19-22H,1-5,12-14,16-18H2,(H,34,35)/t19-,20+,21-,29-
InChIKey PZIAQZGKIQRKGK-HNXVDQRVSA-N
Mol Weight 497.6 g/mol
Molecular Formula C30H34F3NO2
Exact Mass 497.254164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1f7FOOHIDXz
Name N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]-1-adamantanecarboxamide
Alternate Name(s) N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]adamantane-1-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H34F3NO2
InChI InChI=1S/C30H34F3NO2/c31-30(32,33)24-8-11-27(36-25-9-6-23(7-10-25)22-4-2-1-3-5-22)26(15-24)34-28(35)29-16-19-12-20(17-29)14-21(13-19)18-29/h6-11,15,19-22H,1-5,12-14,16-18H2,(H,34,35)/t19-,20+,21-,29-
InChIKey PZIAQZGKIQRKGK-HNXVDQRVSA-N
Molecular Weight 497.602 g/mol
SMILES N(c1cc(ccc1Oc1ccc(cc1)C1CCCCC1)C(F)(F)F)C(=O)C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]
SPLASH splash10-000i-9700000000-0fb605f409398f831967
Wiley ID 1444261