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1-(1-adamantyl)-4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-piperazine
SpectraBase Compound ID AwzErqPv5Nd
InChI InChI=1S/C21H29ClN2O3S/c1-27-19-3-2-18(22)11-20(19)28(25,26)24-6-4-23(5-7-24)21-12-15-8-16(13-21)10-17(9-15)14-21/h2-3,11,15-17H,4-10,12-14H2,1H3
InChIKey DUKKLCXROMDWSL-UHFFFAOYSA-N
Mol Weight 424.99 g/mol
Molecular Formula C21H29ClN2O3S
Exact Mass 424.158742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KWDL1ReCSXW
Name 1-(1-adamantyl)-4-(5-chloranyl-2-methoxy-phenyl)sulfonyl-piperazine
Alternate Name(s) 1-(1-adamantyl)-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29ClN2O3S
InChI InChI=1S/C21H29ClN2O3S/c1-27-19-3-2-18(22)11-20(19)28(25,26)24-6-4-23(5-7-24)21-12-15-8-16(13-21)10-17(9-15)14-21/h2-3,11,15-17H,4-10,12-14H2,1H3
InChIKey DUKKLCXROMDWSL-UHFFFAOYSA-N
Molecular Weight 424.987 g/mol
SMILES COc1c(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)cc(Cl)cc1
SPLASH splash10-00kr-2930000000-26ad152a3c20b35c391e
Wiley ID 1465127