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[4-(1-adamantyl)-1-piperazinyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone
SpectraBase Compound ID 5gxN6OTXSDX
InChI InChI=1S/C25H35N3O4S/c29-24(22-1-3-23(4-2-22)33(30,31)28-9-11-32-12-10-28)26-5-7-27(8-6-26)25-16-19-13-20(17-25)15-21(14-19)18-25/h1-4,19-21H,5-18H2/t19-,20+,21-,25-
InChIKey OPKXFJHSPRXXLG-ZHVWDZEKSA-N
Mol Weight 473.6 g/mol
Molecular Formula C25H35N3O4S
Exact Mass 473.234828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LRu3h5qyaHV
Name [4-(1-adamantyl)-1-piperazinyl]-[4-(4-morpholinylsulfonyl)phenyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone [4-(1-adamantyl)piperazin-1-yl]-(4-morpholinosulfonylphenyl)methanone [4-(1-adamantyl)piperazino]-(4-morpholinosulfonylphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35N3O4S
InChI InChI=1S/C25H35N3O4S/c29-24(22-1-3-23(4-2-22)33(30,31)28-9-11-32-12-10-28)26-5-7-27(8-6-26)25-16-19-13-20(17-25)15-21(14-19)18-25/h1-4,19-21H,5-18H2/t19-,20+,21-,25-
InChIKey OPKXFJHSPRXXLG-ZHVWDZEKSA-N
Molecular Weight 473.632 g/mol
SMILES C1CN(S(c2ccc(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)=O)cc2)(=O)=O)CCO1
SPLASH splash10-0553-8900000000-165cd4fa76d211259797
Wiley ID 1452348