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3-[4-(1-adamantyl)-1-piperazinyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SpectraBase Compound ID 8F6jSZPJNyR
InChI InChI=1S/C27H37N3O3/c1-2-11-33-23-5-3-22(4-6-23)30-25(31)15-24(26(30)32)28-7-9-29(10-8-28)27-16-19-12-20(17-27)14-21(13-19)18-27/h3-6,19-21,24H,2,7-18H2,1H3/t19-,20+,21-,24?,27-
InChIKey LJAPULZGGKZNOY-WMTMAJDGSA-N
Mol Weight 451.6 g/mol
Molecular Formula C27H37N3O3
Exact Mass 451.283492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SpXrEU7z42
Name 3-[4-(1-adamantyl)-1-piperazinyl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37N3O3
InChI InChI=1S/C27H37N3O3/c1-2-11-33-23-5-3-22(4-6-23)30-25(31)15-24(26(30)32)28-7-9-29(10-8-28)27-16-19-12-20(17-27)14-21(13-19)18-27/h3-6,19-21,24H,2,7-18H2,1H3/t19-,20+,21-,24?,27-
InChIKey LJAPULZGGKZNOY-WMTMAJDGSA-N
Molecular Weight 451.611 g/mol
SMILES CCCOc1ccc(N2C(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)CC2=O)=O)cc1
SPLASH splash10-000l-7911100000-d3f7257226a791bc016f
Synonyms 3-[4-(1-adamantyl)piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione 3-[4-(1-adamantyl)piperazino]-1-(4-propoxyphenyl)pyrrolidine-2,5-quinone
Wiley ID 1464514