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[4-(1-adamantyl)-1-piperazinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone
SpectraBase Compound ID sD8afgbB1u
InChI InChI=1S/C26H37N3O3S/c30-25(23-4-6-24(7-5-23)33(31,32)29-8-2-1-3-9-29)27-10-12-28(13-11-27)26-17-20-14-21(18-26)16-22(15-20)19-26/h4-7,20-22H,1-3,8-19H2/t20-,21+,22-,26-
InChIKey IRODTOQLXXLUNV-CJMBIHEQSA-N
Mol Weight 471.7 g/mol
Molecular Formula C26H37N3O3S
Exact Mass 471.255563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DW6YBIhy89N
Name [4-(1-adamantyl)-1-piperazinyl]-[4-(1-piperidinylsulfonyl)phenyl]methanone
Alternate Name(s) [4-(1-adamantyl)piperazin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone [4-(1-adamantyl)piperazin-1-yl]-[4-(1-piperidylsulfonyl)phenyl]methanone [4-(1-adamantyl)piperazino]-(4-piperidinosulfonylphenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37N3O3S
InChI InChI=1S/C26H37N3O3S/c30-25(23-4-6-24(7-5-23)33(31,32)29-8-2-1-3-9-29)27-10-12-28(13-11-27)26-17-20-14-21(18-26)16-22(15-20)19-26/h4-7,20-22H,1-3,8-19H2/t20-,21+,22-,26-
InChIKey IRODTOQLXXLUNV-CJMBIHEQSA-N
Molecular Weight 471.660 g/mol
SMILES C1CCN(S(c2ccc(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)=O)cc2)(=O)=O)CC1
SPLASH splash10-004u-4900000000-cc88c8a61146bafcb46a
Wiley ID 1442104