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1-(1-adamantyl)-4-(4-chloranyl-3-methoxy-phenyl)sulfonyl-piperazine
SpectraBase Compound ID 3DTMiObJV0K
InChI InChI=1S/C21H29ClN2O3S/c1-27-20-11-18(2-3-19(20)22)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 QNNSJDHXSIXDTL-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 Itfa5NRbGUj
Name 1-(1-adamantyl)-4-(4-chloranyl-3-methoxy-phenyl)sulfonyl-piperazine
Alternate Name(s) 1-(1-adamantyl)-4-(4-chloro-3-methoxyphenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29ClN2O3S
InChI InChI=1S/C21H29ClN2O3S/c1-27-20-11-18(2-3-19(20)22)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 QNNSJDHXSIXDTL-UHFFFAOYSA-N
Molecular Weight 424.987 g/mol
SMILES COc1cc(S(N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)(=O)=O)ccc1Cl
SPLASH splash10-00kr-3930000000-85822d5cb9fd55a1be3d
Wiley ID 1465124