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[4-(1-adamantyl)-1-piperazinyl]-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]methanone
SpectraBase Compound ID Gdi2i3umgYk
InChI InChI=1S/C25H30ClN3O2/c1-16-22(23(27-31-16)20-4-2-3-5-21(20)26)24(30)28-6-8-29(9-7-28)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-5,17-19H,6-15H2,1H3/t17-,18+,19-,25-
InChIKey OFACJGVXOBWZSA-DXSJEHQWSA-N
Mol Weight 439.99 g/mol
Molecular Formula C25H30ClN3O2
Exact Mass 439.202655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0XqO2q0osa
Name [4-(1-adamantyl)-1-piperazinyl]-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone [4-(1-adamantyl)piperazin-1-yl]-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]methanone [4-(1-adamantyl)piperazino]-[3-(2-chlorophenyl)-5-methyl-isoxazol-4-yl]methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30ClN3O2
InChI InChI=1S/C25H30ClN3O2/c1-16-22(23(27-31-16)20-4-2-3-5-21(20)26)24(30)28-6-8-29(9-7-28)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-5,17-19H,6-15H2,1H3/t17-,18+,19-,25-
InChIKey OFACJGVXOBWZSA-DXSJEHQWSA-N
Molecular Weight 439.987 g/mol
SMILES c1(c(noc1C)-c1c(Cl)cccc1)C(N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)=O
SPLASH splash10-004l-5910000000-f5deea454bae22d91dc8
Wiley ID 1462170