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(3aS,9bS)-8-bromanyl-1-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-methyl-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline
SpectraBase Compound ID BxnA1QJL458
InChI InChI=1S/C19H21BrN2O2S/c1-13-3-6-16(7-4-13)25(23,24)22-12-14-9-10-21(2)19(14)17-11-15(20)5-8-18(17)22/h3-8,11,14,19H,9-10,12H2,1-2H3/t14-,19-/m0/s1
InChIKey KIVGNBHTXAWQEN-LIRRHRJNSA-N
Mol Weight 421.35 g/mol
Molecular Formula C19H21BrN2O2S
Exact Mass 420.050712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ndczAlQGze
Name (3aS,9bS)-8-bromanyl-1-methyl-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21BrN2O2S
InChI InChI=1S/C19H21BrN2O2S/c1-13-3-6-16(7-4-13)25(23,24)22-12-14-9-10-21(2)19(14)17-11-15(20)5-8-18(17)22/h3-8,11,14,19H,9-10,12H2,1-2H3/t14-,19-/m0/s1
InChIKey KIVGNBHTXAWQEN-LIRRHRJNSA-N
Molecular Weight 421.353 g/mol
SMILES c12N(S(c3ccc(cc3)C)(=O)=O)C[C@]3([C@@](c1cc(cc2)Br)(N(CC3)C)[H])[H]
SPLASH splash10-00xr-2290700000-ffb82bdd2f41bce3338d
Source of Spectrum KC-57-4102-25
Synonyms (3aS,9bS)-8-bromo-1-methyl-5-(4-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline (3aS,9bS)-8-bromo-1-methyl-5-(p-tolylsulfonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline (3aS,9bS)-8-bromo-1-methyl-5-tosyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline
Wiley ID 1624054