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1-[(4-benzylpiperidine-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID AvYePgqVz9o
InChI InChI=1S/C22H31NO3S/c1-21(2)19-8-11-22(21,20(24)15-19)16-27(25,26)23-12-9-18(10-13-23)14-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3/t19-,22-/m0/s1
InChIKey CMJBXHCEWSTHJG-UGKGYDQZSA-N
Mol Weight 389.55 g/mol
Molecular Formula C22H31NO3S
Exact Mass 389.202465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVo9oZzKfpU
Name 1-[(4-benzylpiperidine-1-sulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Alternate Name(s) Bicyclo[2.2.1]heptan-2-one, 7,7-dimethyl-1-[[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]methyl]- 7,7-Dimethyl-4-[[4-(phenylmethyl)-1-piperidinyl]sulfonylmethyl]-3-bicyclo[2.2.1]heptanone 4-[(4-benzylpiperidin-1-yl)sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one 1-[(4-benzyl-1-piperidyl)sulfonylmethyl]-7,7-dimethyl-norbornan-2-one 7,7-Dimethyl-4-[[4-(phenylmethyl)piperidin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-3-one
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Formula C22H31NO3S
InChI InChI=1S/C22H31NO3S/c1-21(2)19-8-11-22(21,20(24)15-19)16-27(25,26)23-12-9-18(10-13-23)14-17-6-4-3-5-7-17/h3-7,18-19H,8-16H2,1-2H3/t19-,22-/m0/s1
InChIKey CMJBXHCEWSTHJG-UGKGYDQZSA-N
Molecular Weight 389.554 g/mol
SMILES c1ccc(CC2CCN(S(C[C@]34C([C@@](CC4)(CC3=O)[H])(C)C)(=O)=O)CC2)cc1
SPLASH splash10-00dl-9600000000-fa78d98e9b47e4aaf221
Source of Spectrum IY-2-4951-2
Wiley ID 1657495