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(2R,6R,10S)-5-Tosyl-5-aza-tetracyclo[9.2.1.0(2,6).0(2,10)]tetradec-12-en-3-one
SpectraBase Compound ID 5SSgZMcj9Z
InChI InChI=1S/C20H23NO3S/c1-13-5-9-16(10-6-13)25(23,24)21-12-19(22)20-15-8-7-14(11-15)17(20)3-2-4-18(20)21/h5-10,14-15,17-18H,2-4,11-12H2,1H3/t14-,15+,17-,18+,20-/m0/s1
InChIKey VFWCDHFVYBLIRU-HOXSDCPRSA-N
Mol Weight 357.47 g/mol
Molecular Formula C20H23NO3S
Exact Mass 357.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B05fWj8yPCq
Name (2R,6R,10S)-5-Tosyl-5-aza-tetracyclo[9.2.1.0(2,6).0(2,10)]tetradec-12-en-3-one
Alternate Name(s) 5-Tosyl-5-azatetracyclo[9.2.1.0(2,6).0(2,10)]tetradec-12-en-3-one (3aR,6aS,7R,10S,10aS)-3-tosyl-2,3,3a,4,5,6,6a,7-octahydro-7,10-methanobenzo[d]indol-1(10H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO3S
InChI InChI=1S/C20H23NO3S/c1-13-5-9-16(10-6-13)25(23,24)21-12-19(22)20-15-8-7-14(11-15)17(20)3-2-4-18(20)21/h5-10,14-15,17-18H,2-4,11-12H2,1H3/t14-,15+,17-,18+,20-/m0/s1
InChIKey VFWCDHFVYBLIRU-HOXSDCPRSA-N
Molecular Weight 357.468 g/mol
SMILES [C@@]12(N(S(c3ccc(C)cc3)(=O)=O)CC([C@]11[C@@]3(C=C[C@]([C@@]1(CCC2)[H])(C3)[H])[H])=O)[H]
SPLASH splash10-00kf-9450000000-9bc5c24769bc59f6dcf8
Source of Spectrum F5-6-3133-38
Wiley ID 1733554