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(1S,8S)-8-(benzenesulfonyl)-12-(4-methylphenyl)sulfonyl-12-azabicyclo[7.2.1]dodec-9-ene
SpectraBase Compound ID 6nxrJq7UBFO
InChI InChI=1S/C24H29NO4S2/c1-19-13-16-22(17-14-19)31(28,29)25-20-9-5-2-3-8-12-24(23(25)18-15-20)30(26,27)21-10-6-4-7-11-21/h4,6-7,10-11,13-14,16-18,20,24H,2-3,5,8-9,12,15H2,1H3/t20-,24-/m0/s1
InChIKey DQLGXMUJZLECJG-RDPSFJRHSA-N
Mol Weight 459.62 g/mol
Molecular Formula C24H29NO4S2
Exact Mass 459.153801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fp3HDpkrng9
Name (1S,8S)-8-(benzenesulfonyl)-12-(4-methylphenyl)sulfonyl-12-azabicyclo[7.2.1]dodec-9-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29NO4S2
InChI InChI=1S/C24H29NO4S2/c1-19-13-16-22(17-14-19)31(28,29)25-20-9-5-2-3-8-12-24(23(25)18-15-20)30(26,27)21-10-6-4-7-11-21/h4,6-7,10-11,13-14,16-18,20,24H,2-3,5,8-9,12,15H2,1H3/t20-,24-/m0/s1
InChIKey DQLGXMUJZLECJG-RDPSFJRHSA-N
Molecular Weight 459.619 g/mol
SMILES C1=2N(S(c3ccc(cc3)C)(=O)=O)[C@@](CCCCCC[C@@]1(S(=O)(=O)c1ccccc1)[H])(CC2)[H]
SPLASH splash10-0j4i-3819000000-f3f39f0ba3431da3d614
Source of Spectrum KC-0-351-2
Synonyms (1S,8S)-8-(benzenesulfonyl)-12-(p-tolylsulfonyl)-12-azabicyclo[7.2.1]dodec-9-ene (1S,8S)-8-besyl-12-tosyl-12-azabicyclo[7.2.1]dodec-9-ene
Wiley ID 829926