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(4-Adamantan-1-ylpiperazin-1-yl)(4-tert-butylphenyl)methanone

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

(4-Adamantan-1-ylpiperazin-1-yl)(4-tert-butylphenyl)methanone
SpectraBase Compound ID 3RNd8x2xxLR
InChI InChI=1S/C25H36N2O/c1-24(2,3)22-6-4-21(5-7-22)23(28)26-8-10-27(11-9-26)25-15-18-12-19(16-25)14-20(13-18)17-25/h4-7,18-20H,8-17H2,1-3H3
InChIKey QBFYKDJUGOTMML-UHFFFAOYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C25H36N2O
Exact Mass 380.282764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5r6PouC1PEe
Name (4-Adamantan-1-ylpiperazin-1-yl)(4-tert-butylphenyl)methanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.282763786 u
Formula C25H36N2O
InChI InChI=1S/C25H36N2O/c1-24(2,3)22-6-4-21(5-7-22)23(28)26-8-10-27(11-9-26)25-15-18-12-19(16-25)14-20(13-18)17-25/h4-7,18-20H,8-17H2,1-3H3
InChIKey QBFYKDJUGOTMML-UHFFFAOYSA-N
Molecular Weight 380.576 g/mol
SMILES C12(N3CCN(CC3)C(C=3C=CC(C(C)(C)C)=CC3)=O)CC3CC(C2)CC(C1)C3