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8-(2-Acetylphenyl)-2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID C0PqNxi35Va
InChI InChI=1S/C24H23NO3S/c1-17-10-12-20(13-11-17)29(27,28)25-15-14-19-6-5-9-23(24(19)16-25)22-8-4-3-7-21(22)18(2)26/h3-13H,14-16H2,1-2H3
InChIKey PCZIUBPKNZJDQM-UHFFFAOYSA-N
Mol Weight 405.51 g/mol
Molecular Formula C24H23NO3S
Exact Mass 405.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99xBDn11zvT
Name 8-(2-Acetylphenyl)-2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
Alternate Name(s) 1-(2-{2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-8-isoquinolinyl}phenyl)ethanone
Comments Less than 3 mono-isotopic peaks
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Formula C24H23NO3S
InChI InChI=1S/C24H23NO3S/c1-17-10-12-20(13-11-17)29(27,28)25-15-14-19-6-5-9-23(24(19)16-25)22-8-4-3-7-21(22)18(2)26/h3-13H,14-16H2,1-2H3
InChIKey PCZIUBPKNZJDQM-UHFFFAOYSA-N
Molecular Weight 405.512 g/mol
SMILES C1N(CCc2cccc(c12)-c1c(cccc1)C(=O)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0udi-2090000000-99f8e3b0f2e98e4d0e17
Source of Spectrum KC-61-8286-12
Wiley ID 1630247