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Bicyclo[2.2.1]heptan-2-one, 1-[[[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]-7,7-dimethyl-
SpectraBase Compound ID 5QloI0jJDNr
InChI InChI=1S/C21H29ClN2O3S/c1-15-17(22)5-4-6-18(15)23-9-11-24(12-10-23)28(26,27)14-21-8-7-16(13-19(21)25)20(21,2)3/h4-6,16H,7-14H2,1-3H3/t16-,21-/m0/s1
InChIKey VEJWGLJWBOKRQS-KKSFZXQISA-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 6EcualyCtfD
Name Bicyclo[2.2.1]heptan-2-one, 1-[[[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]methyl]-7,7-dimethyl-
Alternate Name(s) 4-[[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonylmethyl]-7,7-dimethyl-3-bicyclo[2.2.1]heptanone 4-[[4-(3-chloro-2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one 1-[[4-(3-chloro-2-methyl-phenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-norbornan-2-one 4-[[4-(3-chloranyl-2-methyl-phenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethyl-bicyclo[2.2.1]heptan-3-one
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Formula C21H29ClN2O3S
InChI InChI=1S/C21H29ClN2O3S/c1-15-17(22)5-4-6-18(15)23-9-11-24(12-10-23)28(26,27)14-21-8-7-16(13-19(21)25)20(21,2)3/h4-6,16H,7-14H2,1-3H3/t16-,21-/m0/s1
InChIKey VEJWGLJWBOKRQS-KKSFZXQISA-N
Molecular Weight 424.987 g/mol
SMILES [C@]12(CC(=O)[C@@](C2(C)C)(CS(=O)(=O)N2CCN(CC2)c2c(c(ccc2)Cl)C)CC1)[H]
SPLASH splash10-0a4i-9460000000-edf69648823c4742a9ef
Source of Spectrum IY-1-4681-9
Wiley ID 1654802