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Carbonic acid, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethylphenyl octyl ester
SpectraBase Compound ID KWn0wPRgMN7
InChI InChI=1S/C31H40N2O5S/c1-6-7-8-9-10-14-19-37-31(34)38-29-21-23(2)28(20-24(29)3)32-27-18-17-25(33(4)5)22-30(27)39(35,36)26-15-12-11-13-16-26/h11-13,15-18,20-22,32H,6-10,14,19H2,1-5H3
InChIKey PBXCQJRWBHUQPM-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C31H40N2O5S
Exact Mass 552.265794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Z279vFxGiK
Name Carbonic acid, 4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethylphenyl octyl ester
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Formula C31H40N2O5S
InChI InChI=1S/C31H40N2O5S/c1-6-7-8-9-10-14-19-37-31(34)38-29-21-23(2)28(20-24(29)3)32-27-18-17-25(33(4)5)22-30(27)39(35,36)26-15-12-11-13-16-26/h11-13,15-18,20-22,32H,6-10,14,19H2,1-5H3
InChIKey PBXCQJRWBHUQPM-UHFFFAOYSA-N
Molecular Weight 552.730 g/mol
SMILES N(c1c(cc(OC(OCCCCCCCC)=O)c(c1)C)C)c1ccc(cc1S(=O)(=O)c1ccccc1)N(C)C
SPLASH splash10-0udj-8149080000-bdd876a7c0f0174f981d
Source of Spectrum JX-2015-4-1171
Synonyms 4-((4-(dimethylamino)-2-(phenylsulfonyl)phenyl)amino)-2,5-dimethylphenyl octyl carbonate 4-{[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino}-2,5-dimethylphenyl octyl carbonate Carbonic acid [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethylphenyl] octyl ester [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethylphenyl] octyl carbonate [4-[2-(benzenesulfonyl)-4-(dimethylamino)anilino]-2,5-dimethyl-phenyl] octyl carbonate [4-[[4-(dimethylamino)-2-(phenylsulfonyl)phenyl]amino]-2,5-dimethyl-phenyl] octyl carbonate
Wiley ID 1726565