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(3aS,9bS)-8-bromanyl-1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline

View entire compound with spectra: 1 MS (GC)

(3aS,9bS)-8-bromanyl-1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline
SpectraBase Compound ID A0531mkzDuB
InChI InChI=1S/C26H27BrN2O3S/c1-18-3-10-23(11-4-18)33(30,31)29-17-20-13-14-28(16-19-5-8-22(32-2)9-6-19)26(20)24-15-21(27)7-12-25(24)29/h3-12,15,20,26H,13-14,16-17H2,1-2H3/t20-,26-/m0/s1
InChIKey RCCIUSQYRSPVEI-FNZWTVRRSA-N
Mol Weight 527.48 g/mol
Molecular Formula C26H27BrN2O3S
Exact Mass 526.092577 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEu3K8BRxuJ
Name (3aS,9bS)-8-bromanyl-1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline
Alternate Name(s) (3aS,9bS)-8-bromo-1-p-anisyl-5-tosyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline (3aS,9bS)-8-bromo-1-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline (3aS,9bS)-8-bromo-1-[(4-methoxyphenyl)methyl]-5-(p-tolylsulfonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline
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Formula C26H27BrN2O3S
InChI InChI=1S/C26H27BrN2O3S/c1-18-3-10-23(11-4-18)33(30,31)29-17-20-13-14-28(16-19-5-8-22(32-2)9-6-19)26(20)24-15-21(27)7-12-25(24)29/h3-12,15,20,26H,13-14,16-17H2,1-2H3/t20-,26-/m0/s1
InChIKey RCCIUSQYRSPVEI-FNZWTVRRSA-N
Molecular Weight 527.477 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)C[C@@]3(CCN([C@@]3(c1cc(cc2)Br)[H])Cc1ccc(cc1)OC)[H]
SPLASH splash10-00di-1903000000-577c8a75c895d64bd454
Source of Spectrum KC-57-4103-27
Wiley ID 1624052