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3-[4-(1-adamantyl)-1-piperazinyl]-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
SpectraBase Compound ID 4fp62Z4OQHQ
InChI InChI=1S/C25H30ClF2N3O3/c26-25(27,28)34-20-3-1-19(2-4-20)31-22(32)12-21(23(31)33)29-5-7-30(8-6-29)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,21H,5-15H2/t16-,17+,18-,21?,24-
InChIKey DNPKIZHYZNGQIO-PMXPDCCXSA-N
Mol Weight 493.98 g/mol
Molecular Formula C25H30ClF2N3O3
Exact Mass 493.194376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B01vOUHvF7A
Name 3-[4-(1-adamantyl)-1-piperazinyl]-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30ClF2N3O3
InChI InChI=1S/C25H30ClF2N3O3/c26-25(27,28)34-20-3-1-19(2-4-20)31-22(32)12-21(23(31)33)29-5-7-30(8-6-29)24-13-16-9-17(14-24)11-18(10-16)15-24/h1-4,16-18,21H,5-15H2/t16-,17+,18-,21?,24-
InChIKey DNPKIZHYZNGQIO-PMXPDCCXSA-N
Molecular Weight 493.983 g/mol
SMILES c1cc(N2C(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)CC2=O)=O)ccc1OC(Cl)(F)F
SPLASH splash10-000i-5911000000-e2acd09d3ea141c6174b
Synonyms 3-[4-(1-adamantyl)piperazin-1-yl]-1-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]pyrrolidine-2,5-dione 3-[4-(1-adamantyl)piperazin-1-yl]-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-dione 3-[4-(1-adamantyl)piperazino]-1-[4-[chloro(difluoro)methoxy]phenyl]pyrrolidine-2,5-quinone
Wiley ID 1463673