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3-[4-(1-adamantyl)-1-piperazinyl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione
SpectraBase Compound ID KiryUHOrLmI
InChI InChI=1S/C26H35N3O3/c1-2-32-22-5-3-4-21(13-22)29-24(30)14-23(25(29)31)27-6-8-28(9-7-27)26-15-18-10-19(16-26)12-20(11-18)17-26/h3-5,13,18-20,23H,2,6-12,14-17H2,1H3/t18-,19+,20-,23?,26-
InChIKey NVLMFSVSHANOIV-HDWGDBBDSA-N
Mol Weight 437.6 g/mol
Molecular Formula C26H35N3O3
Exact Mass 437.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1vL2kqqDJS6
Name 3-[4-(1-adamantyl)-1-piperazinyl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione
Alternate Name(s) 3-[4-(1-adamantyl)piperazin-1-yl]-1-(3-ethoxyphenyl)pyrrolidine-2,5-dione 3-[4-(1-adamantyl)piperazino]-1-m-phenetyl-pyrrolidine-2,5-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H35N3O3
InChI InChI=1S/C26H35N3O3/c1-2-32-22-5-3-4-21(13-22)29-24(30)14-23(25(29)31)27-6-8-28(9-7-27)26-15-18-10-19(16-26)12-20(11-18)17-26/h3-5,13,18-20,23H,2,6-12,14-17H2,1H3/t18-,19+,20-,23?,26-
InChIKey NVLMFSVSHANOIV-HDWGDBBDSA-N
Molecular Weight 437.584 g/mol
SMILES CCOc1cc(N2C(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)CC2=O)=O)ccc1
SPLASH splash10-000i-3913400000-dc50fa6385818c16a6e2
Wiley ID 1463381