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4-tert-Butyl-benzenesulfonic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester
SpectraBase Compound ID FCuGvkljrfb
InChI InChI=1S/C21H19Cl2NO4S/c1-21(2,3)14-4-10-18(11-5-14)29(25,26)28-17-8-6-16(7-9-17)27-20-19(23)12-15(22)13-24-20/h4-13H,1-3H3
InChIKey OUUWEHKSZORVEL-UHFFFAOYSA-N
Mol Weight 452.35 g/mol
Molecular Formula C21H19Cl2NO4S
Exact Mass 451.041185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I4TPbO5nriv
Name 4-tert-Butyl-benzenesulfonic acid 4-(3,5-dichloro-pyridin-2-yloxy)-phenyl ester
Alternate Name(s) 4-tert-Butylbenzenesulfonic acid[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]ester 4-tert-Butylbenzenesulfonic acid[4-[(3,5-dichloro-2-pyridyl)oxy]phenyl]ester 4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl 4-tert-butylbenzenesulfonate [4-(3,5-dichloropyridin-2-yl)oxyphenyl]4-tert-butylbenzenesulfonate [4-[(3,5-dichloro-2-pyridyl)oxy]phenyl]4-tert-butylbenzenesulfonate [4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenyl]4-tert-butylbenzenesulfonate 4-tert-Butylbenzenesulfonic acid [4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl] ester [4-(3,5-dichloropyridin-2-yl)oxyphenyl] 4-tert-butylbenzenesulfonate [4-[(3,5-dichloro-2-pyridyl)oxy]phenyl] 4-tert-butylbenzenesulfonate [4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenyl] 4-tert-butylbenzenesulfonate
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Formula C21H19Cl2NO4S
InChI InChI=1S/C21H19Cl2NO4S/c1-21(2,3)14-4-10-18(11-5-14)29(25,26)28-17-8-6-16(7-9-17)27-20-19(23)12-15(22)13-24-20/h4-13H,1-3H3
InChIKey OUUWEHKSZORVEL-UHFFFAOYSA-N
Molecular Weight 452.352 g/mol
SMILES CC(c1ccc(S(Oc2ccc(Oc3ncc(cc3Cl)Cl)cc2)(=O)=O)cc1)(C)C
SPLASH splash10-0udi-0380900000-d7ce505cb0c50f3018e3
Wiley ID 1442851