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N-[1-(1-adamantyl)propyl]-4-(1-piperidinylsulfonyl)benzamide
SpectraBase Compound ID 3ViImuGWvUf
InChI InChI=1S/C25H36N2O3S/c1-2-23(25-15-18-12-19(16-25)14-20(13-18)17-25)26-24(28)21-6-8-22(9-7-21)31(29,30)27-10-4-3-5-11-27/h6-9,18-20,23H,2-5,10-17H2,1H3,(H,26,28)/t18-,19+,20-,23?,25-
InChIKey FCMDHZACVDCQEC-TZKDCLBZSA-N
Mol Weight 444.6 g/mol
Molecular Formula C25H36N2O3S
Exact Mass 444.244664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0sxW7ZJEEi
Name N-[1-(1-adamantyl)propyl]-4-(1-piperidinylsulfonyl)benzamide
Alternate Name(s) N-[1-(1-adamantyl)propyl]-4-(1-piperidylsulfonyl)benzamide N-[1-(1-adamantyl)propyl]-4-piperidin-1-ylsulfonyl-benzamide N-[1-(1-adamantyl)propyl]-4-piperidinosulfonyl-benzamide
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Formula C25H36N2O3S
InChI InChI=1S/C25H36N2O3S/c1-2-23(25-15-18-12-19(16-25)14-20(13-18)17-25)26-24(28)21-6-8-22(9-7-21)31(29,30)27-10-4-3-5-11-27/h6-9,18-20,23H,2-5,10-17H2,1H3,(H,26,28)/t18-,19+,20-,23?,25-
InChIKey FCMDHZACVDCQEC-TZKDCLBZSA-N
Molecular Weight 444.634 g/mol
SMILES N(C(c1ccc(S(N2CCCCC2)(=O)=O)cc1)=O)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CC
SPLASH splash10-0f79-6921000000-74d0c56b0857ab8332ec
Wiley ID 1442103