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N-Benzyl-2-trifluoromethylsulfonylamino-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
SpectraBase Compound ID DYWpvVoiuGa
InChI InChI=1S/C18H25F3N2O4S2/c1-16(2)14-8-9-17(16,15(10-14)23-29(26,27)18(19,20)21)12-28(24,25)22-11-13-6-4-3-5-7-13/h3-7,14-15,22-23H,8-12H2,1-2H3/t14-,15?,17-/m1/s1
InChIKey CDMZKUWXRKPWER-XZDBBAETSA-N
Mol Weight 454.52 g/mol
Molecular Formula C18H25F3N2O4S2
Exact Mass 454.120784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6scdkB5mrP
Name N-Benzyl-2-trifluoromethylsulfonylamino-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide
Alternate Name(s) (1S,2R,4S)-N-Benzyl-2-trifluoromethylsulfonylamino-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide N-(1-{[(benzylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl)(trifluoro)methanesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25F3N2O4S2
InChI InChI=1S/C18H25F3N2O4S2/c1-16(2)14-8-9-17(16,15(10-14)23-29(26,27)18(19,20)21)12-28(24,25)22-11-13-6-4-3-5-7-13/h3-7,14-15,22-23H,8-12H2,1-2H3/t14-,15?,17-/m1/s1
InChIKey CDMZKUWXRKPWER-XZDBBAETSA-N
Molecular Weight 454.523 g/mol
SMILES N(C1[C@]2(CS(NCc3ccccc3)(=O)=O)CC[C@](C1)(C2(C)C)[H])S(C(F)(F)F)(=O)=O
SPLASH splash10-0a4l-5900000000-ca5def910c995e1673f4
Source of Spectrum QC-11-1640-12
Wiley ID 859749