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1-(4-Methylphenyl)sulfonyl-2H-quinoline-2,3-dicarboxylic acid ditert-butyl ester
SpectraBase Compound ID LhlI32BKGAB
InChI InChI=1S/C26H31NO6S/c1-17-12-14-19(15-13-17)34(30,31)27-21-11-9-8-10-18(21)16-20(23(28)32-25(2,3)4)22(27)24(29)33-26(5,6)7/h8-16,22H,1-7H3
InChIKey DZSBCVBLTMVARW-UHFFFAOYSA-N
Mol Weight 485.6 g/mol
Molecular Formula C26H31NO6S
Exact Mass 485.187209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9E5hCU8OtuJ
Name 1-(4-Methylphenyl)sulfonyl-2H-quinoline-2,3-dicarboxylic acid ditert-butyl ester
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Formula C26H31NO6S
InChI InChI=1S/C26H31NO6S/c1-17-12-14-19(15-13-17)34(30,31)27-21-11-9-8-10-18(21)16-20(23(28)32-25(2,3)4)22(27)24(29)33-26(5,6)7/h8-16,22H,1-7H3
InChIKey DZSBCVBLTMVARW-UHFFFAOYSA-N
Molecular Weight 485.595 g/mol
SMILES c1(S(N2C(C(C(OC(C)(C)C)=O)=Cc3c2cccc3)C(OC(C)(C)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-001i-3009100000-069b454db8213da6fa72
Source of Spectrum AH-128-930-5
Synonyms 1-Tosyl-2H-quinoline-2,3-dicarboxylic acid ditert-butyl ester ditert-butyl 1-(4-methylphenyl)sulfonyl-2H-quinoline-2,3-dicarboxylate ditert-butyl 1-(p-tolylsulfonyl)-2H-quinoline-2,3-dicarboxylate
Wiley ID 1396273