For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-adamantanecarboxamide

View entire compound with spectra: 2 NMR

N-[1-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-adamantanecarboxamide
SpectraBase Compound ID 7Uoo00HNDx3
InChI InChI=1S/C23H28FN3O/c1-14-21(15(2)27(26-14)13-16-3-5-20(24)6-4-16)25-22(28)23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,17-19H,7-13H2,1-2H3,(H,25,28)/t17-,18+,19-,23-
InChIKey FZONTNZNHAPMCE-CDIPDJBESA-N
Mol Weight 381.5 g/mol
Molecular Formula C23H28FN3O
Exact Mass 381.221641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1XbRXldbBfI
Name N-[1-(4-Fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-1-adamantanecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.221640696 u
Formula C23H28FN3O
InChI InChI=1S/C23H28FN3O/c1-14-21(15(2)27(26-14)13-16-3-5-20(24)6-4-16)25-22(28)23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,17-19H,7-13H2,1-2H3,(H,25,28)/t17-,18+,19-,23-
InChIKey FZONTNZNHAPMCE-CDIPDJBESA-N
Molecular Weight 381.495 g/mol
SMILES N(C1=C(N(N=C1C)CC1=CC=C(F)C=C1)C)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O