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(1S,3Z,7S)-11-(4-methylphenyl)sulfonyl-7-(phenylsulfonyl)-11-azabicyclo[6.2.1]undeca-3,8-diene
SpectraBase Compound ID 3T1OhB6GWvS
InChI InChI=1S/C23H25NO4S2/c1-18-12-15-21(16-13-18)30(27,28)24-19-8-4-2-7-11-23(22(24)17-14-19)29(25,26)20-9-5-3-6-10-20/h2-6,9-10,12-13,15-17,19,23H,7-8,11,14H2,1H3/b4-2-/t19-,23-/m0/s1
InChIKey AICSRZOKWRORIB-IWMFIPIYSA-N
Mol Weight 443.58 g/mol
Molecular Formula C23H25NO4S2
Exact Mass 443.122501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cupxc6iHmMC
Name (1S,3Z,7S)-11-(4-methylphenyl)sulfonyl-7-(phenylsulfonyl)-11-azabicyclo[6.2.1]undeca-3,8-diene
Alternate Name(s) (1S,3Z,7S)-7-(benzenesulfonyl)-11-(4-methylphenyl)sulfonyl-11-azabicyclo[6.2.1]undeca-3,8-diene (1S,3Z,7S)-7-(benzenesulfonyl)-11-(p-tolylsulfonyl)-11-azabicyclo[6.2.1]undeca-3,8-diene (1S,3Z,7S)-7-besyl-11-tosyl-11-azabicyclo[6.2.1]undeca-3,8-diene
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Formula C23H25NO4S2
InChI InChI=1S/C23H25NO4S2/c1-18-12-15-21(16-13-18)30(27,28)24-19-8-4-2-7-11-23(22(24)17-14-19)29(25,26)20-9-5-3-6-10-20/h2-6,9-10,12-13,15-17,19,23H,7-8,11,14H2,1H3/b4-2-/t19-,23-/m0/s1
InChIKey AICSRZOKWRORIB-IWMFIPIYSA-N
Molecular Weight 443.576 g/mol
SMILES C1=2N(S(c3ccc(cc3)C)(=O)=O)[C@@](C\C=C/CC[C@@]1(S(=O)(=O)c1ccccc1)[H])(CC2)[H]
SPLASH splash10-0f6y-6697400000-9e57c3c01f1d984221c7
Source of Spectrum KC-0-348-12
Wiley ID 829929