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1-(1-adamantyl)-4-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperazine
SpectraBase Compound ID 93oUdUbOAip
InChI InChI=1S/C20H26ClN3O4S/c21-18-2-1-17(24(25)26)10-19(18)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 QVRGDWSAAYRQOJ-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 8wQUO2SpjhD
Name 1-(1-adamantyl)-4-(2-chloranyl-5-nitro-phenyl)sulfonyl-piperazine
Alternate Name(s) 1-(1-adamantyl)-4-(2-chloro-5-nitrophenyl)sulfonylpiperazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26ClN3O4S
InChI InChI=1S/C20H26ClN3O4S/c21-18-2-1-17(24(25)26)10-19(18)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 QVRGDWSAAYRQOJ-UHFFFAOYSA-N
Molecular Weight 439.958 g/mol
SMILES C12(CC3CC(C2)CC(C1)C3)N1CCN(CC1)S(c1cc(ccc1Cl)N(=O)=O)(=O)=O
SPLASH splash10-014r-2790000000-ecb8a003d865b15ef4fa
Wiley ID 1444635