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4-[3-[4-(1-adamantyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
SpectraBase Compound ID IwAkgE2M9IT
InChI InChI=1S/C26H33N3O4/c1-33-25(32)20-2-4-21(5-3-20)29-23(30)13-22(24(29)31)27-6-8-28(9-7-27)26-14-17-10-18(15-26)12-19(11-17)16-26/h2-5,17-19,22H,6-16H2,1H3/t17-,18+,19-,22?,26-
InChIKey VCGQRVLMKIIIOV-NZBCHGJISA-N
Mol Weight 451.6 g/mol
Molecular Formula C26H33N3O4
Exact Mass 451.247107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPlxHoFWS7Q
Name 4-[3-[4-(1-adamantyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester
Alternate Name(s) 4-[3-[4-(1-adamantyl)piperazino]-2,5-diketo-pyrrolidino]benzoic acid methyl ester Methyl 4-[3-[4-(1-adamantyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Methyl 4-[3-[4-(1-adamantyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H33N3O4
InChI InChI=1S/C26H33N3O4/c1-33-25(32)20-2-4-21(5-3-20)29-23(30)13-22(24(29)31)27-6-8-28(9-7-27)26-14-17-10-18(15-26)12-19(11-17)16-26/h2-5,17-19,22H,6-16H2,1H3/t17-,18+,19-,22?,26-
InChIKey VCGQRVLMKIIIOV-NZBCHGJISA-N
Molecular Weight 451.567 g/mol
SMILES COC(c1ccc(N2C(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)CC2=O)=O)cc1)=O
SPLASH splash10-000i-4911000000-94e6651a541b7db94b7e
Wiley ID 1463677