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4-Aminophenyl 4-Methylphenyl Sulfoxide - (1S)-Camphor-10-sulfonate
SpectraBase Compound ID HKiqCpWe0A5
InChI InChI=1S/C13H13NOS.C10H16O4S/c1-10-2-6-12(7-3-10)16(15)13-8-4-11(14)5-9-13;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-9H,14H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.0/s1
InChIKey PPHTXLGYOBXWJU-JAGIHPHKSA-N
Mol Weight 463.61 g/mol
Molecular Formula C23H29NO5S2
Exact Mass 463.148715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ciAxRiXgz4
Name 4-Aminophenyl 4-Methylphenyl Sulfoxide - (1S)-Camphor-10-sulfonate
Alternate Name(s) (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonic acid compound with 4-[(4-methylphenyl)sulfinyl]aniline (1:1) (R)-4-Ammoniophenyl 4-methylphenyl sulfoxide (1S)-Camphor-10-sulfonate
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Formula C23H29NO5S2
InChI InChI=1S/C13H13NOS.C10H16O4S/c1-10-2-6-12(7-3-10)16(15)13-8-4-11(14)5-9-13;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-9H,14H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t;7-,10-/m.0/s1
InChIKey PPHTXLGYOBXWJU-JAGIHPHKSA-N
Molecular Weight 463.607 g/mol
SMILES Nc1ccc(S(c2ccc(cc2)C)=O)cc1.OS(C[C@]12C([C@@](CC2)(CC1=O)[H])(C)C)(=O)=O
SPLASH splash10-00sl-3920000000-b32eb14d5399c86433f3
Source of Spectrum K1-2002-447-4
Wiley ID 1522005