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1-(1-adamantyl)-4-(4-chloranyl-3-nitro-phenyl)sulfonyl-piperazine
SpectraBase Compound ID LP2qxEjlYdE
InChI InChI=1S/C20H26ClN3O4S/c21-18-2-1-17(10-19(18)24(25)26)29(27,28)23-5-3-22(4-6-23)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2
InChIKey HXGMTZWMLHUKLN-UHFFFAOYSA-N
Mol Weight 439.96 g/mol
Molecular Formula C20H26ClN3O4S
Exact Mass 439.133255 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16Hv0eguvHN
Name 1-(1-adamantyl)-4-(4-chloranyl-3-nitro-phenyl)sulfonyl-piperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26ClN3O4S
InChI InChI=1S/C20H26ClN3O4S/c21-18-2-1-17(10-19(18)24(25)26)29(27,28)23-5-3-22(4-6-23)20-11-14-7-15(12-20)9-16(8-14)13-20/h1-2,10,14-16H,3-9,11-13H2
InChIKey HXGMTZWMLHUKLN-UHFFFAOYSA-N
Molecular Weight 439.958 g/mol
SMILES C1C2CC3(N4CCN(S(c5cc(N(=O)=O)c(cc5)Cl)(=O)=O)CC4)CC1CC(C3)C2
SPLASH splash10-00kr-9750000000-69fe240f35cf416be7ed
Synonyms 1-(1-adamantyl)-4-(4-chloro-3-nitrophenyl)sulfonylpiperazine
Wiley ID 1436673