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4-[3-[4-(1-adamantyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
SpectraBase Compound ID 1m6yD65FDgs
InChI InChI=1S/C27H35N3O4/c1-2-34-26(33)21-3-5-22(6-4-21)30-24(31)14-23(25(30)32)28-7-9-29(10-8-28)27-15-18-11-19(16-27)13-20(12-18)17-27/h3-6,18-20,23H,2,7-17H2,1H3/t18-,19+,20-,23?,27-
InChIKey SIWJEQCDEALYFL-BABRQVGDSA-N
Mol Weight 465.6 g/mol
Molecular Formula C27H35N3O4
Exact Mass 465.262757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsbuG6ua2PN
Name 4-[3-[4-(1-adamantyl)-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H35N3O4
InChI InChI=1S/C27H35N3O4/c1-2-34-26(33)21-3-5-22(6-4-21)30-24(31)14-23(25(30)32)28-7-9-29(10-8-28)27-15-18-11-19(16-27)13-20(12-18)17-27/h3-6,18-20,23H,2,7-17H2,1H3/t18-,19+,20-,23?,27-
InChIKey SIWJEQCDEALYFL-BABRQVGDSA-N
Molecular Weight 465.594 g/mol
SMILES CCOC(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-3921100000-72fb902965cc51f08b3d
Synonyms 4-[3-[4-(1-adamantyl)piperazino]-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Ethyl 4-[3-[4-(1-adamantyl)piperazin-1-yl]-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Ethyl 4-[3-[4-(1-adamantyl)piperazin-1-yl]-2,5-dioxo-pyrrolidin-1-yl]benzoate
Wiley ID 1463679