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[4-(1-adamantyl)-1-piperazinyl]-[4-(benzenesulfonyl)phenyl]methanone
SpectraBase Compound ID HpINsaoeDid
InChI InChI=1S/C27H32N2O3S/c30-26(23-6-8-25(9-7-23)33(31,32)24-4-2-1-3-5-24)28-10-12-29(13-11-28)27-17-20-14-21(18-27)16-22(15-20)19-27/h1-9,20-22H,10-19H2/t20-,21+,22-,27-
InChIKey JYLCQQMBFTUJAD-YPBFGOHSSA-N
Mol Weight 464.6 g/mol
Molecular Formula C27H32N2O3S
Exact Mass 464.213364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mFLWrZhQw1
Name [4-(1-adamantyl)-1-piperazinyl]-[4-(benzenesulfonyl)phenyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-[4-(benzenesulfonyl)phenyl]methanone [4-(1-adamantyl)piperazin-1-yl]-[4-(phenylsulfonyl)phenyl]methanone [4-(1-adamantyl)piperazino]-(4-besylphenyl)methanone
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Formula C27H32N2O3S
InChI InChI=1S/C27H32N2O3S/c30-26(23-6-8-25(9-7-23)33(31,32)24-4-2-1-3-5-24)28-10-12-29(13-11-28)27-17-20-14-21(18-27)16-22(15-20)19-27/h1-9,20-22H,10-19H2/t20-,21+,22-,27-
InChIKey JYLCQQMBFTUJAD-YPBFGOHSSA-N
Molecular Weight 464.624 g/mol
SMILES c1ccc(S(c2ccc(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)=O)cc2)(=O)=O)cc1
SPLASH splash10-004r-5900000000-fe0a87d1e762181d8e69
Wiley ID 1442499