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11-Methoxy-3-methyl-4-toluenesulphonyl-3,4,5,6-tetrahydro-.beta.-carboline
SpectraBase Compound ID Jxz6KVmUBX0
InChI InChI=1S/C20H22N2O3S/c1-12-8-10-14(11-9-12)26(23,24)19-13(2)21-20(25-3)18-17(19)15-6-4-5-7-16(15)22-18/h5,7-11,13,19,22H,4,6H2,1-3H3
InChIKey OMLYDGCKXCCNGO-UHFFFAOYSA-N
Mol Weight 370.47 g/mol
Molecular Formula C20H22N2O3S
Exact Mass 370.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QmuQpdFFI2
Name 11-Methoxy-3-methyl-4-toluenesulphonyl-3,4,5,6-tetrahydro-.beta.-carboline
Alternate Name(s) 1-Methoxy-3-methyl-4,5,6,9-tetrahydro-3H-.beta.-carbolin-4-yl 4-methylphenyl sulfone 1-Methoxy-3-methyl-4-[(4-methylphenyl)sulfonyl]-4,5,6,9-tetrahydro-3H-.beta.-carboline
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Formula C20H22N2O3S
InChI InChI=1S/C20H22N2O3S/c1-12-8-10-14(11-9-12)26(23,24)19-13(2)21-20(25-3)18-17(19)15-6-4-5-7-16(15)22-18/h5,7-11,13,19,22H,4,6H2,1-3H3
InChIKey OMLYDGCKXCCNGO-UHFFFAOYSA-N
Molecular Weight 370.467 g/mol
SMILES [nH]1c2c(c3c1C(=NC(C3S(c1ccc(cc1)C)(=O)=O)C)OC)CCC=C2
SPLASH splash10-0ab9-1669000000-f8ab8d55bed3f338d1f4
Source of Spectrum NW-1899-0-0
Wiley ID 1354243