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1-(1-Adamantyl)-4-m-tolylsulphonyl-3-nitrobenzene
SpectraBase Compound ID 5PuANCviwXj
InChI InChI=1S/C23H25NO4S/c1-15-3-2-4-20(7-15)29(27,28)22-6-5-19(11-21(22)24(25)26)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,11,16-18H,8-10,12-14H2,1H3
InChIKey GTBLYDQTIOXTIL-UHFFFAOYSA-N
Mol Weight 411.52 g/mol
Molecular Formula C23H25NO4S
Exact Mass 411.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jU3XTyRwhi
Name 1-(1-Adamantyl)-4-m-tolylsulphonyl-3-nitrobenzene
Alternate Name(s) 1-{4-[(3-methylphenyl)sulfonyl]-3-nitrophenyl}adamantane 4-(1-adamantyl)-2-nitrophenyl 3-methylphenyl sulfone Tricyclo[3.3.1.1(3,7)]decane, 1-[4-[(3-methylphenyl)sulfonyl]-3-nitrophenyl]- 1-[4-(3-methylphenyl)sulfonyl-3-nitrophenyl]adamantane 1-[4-(3-methylphenyl)sulfonyl-3-nitro-phenyl]adamantane
CAS Registry Number 71466-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO4S
InChI InChI=1S/C23H25NO4S/c1-15-3-2-4-20(7-15)29(27,28)22-6-5-19(11-21(22)24(25)26)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,11,16-18H,8-10,12-14H2,1H3
InChIKey GTBLYDQTIOXTIL-UHFFFAOYSA-N
Molecular Weight 411.516 g/mol
SMILES c1(S(c2cc(C)ccc2)(=O)=O)c(N(=O)=O)cc(C23CC4CC(C3)CC(C2)C4)cc1
SPLASH splash10-0006-9400000000-ad9ed8bc4704699bb46e
Source of Spectrum KC-1979-472-0
Wiley ID 1374100