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2-[[5-(6-chloro-1-cyclopropyl-5-fluoro-benzimidazol-2-yl)-3-pyridyl]oxy]ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID 90UYkybj0Wd
InChI InChI=1S/C24H21ClFN3O4S/c1-15-2-6-19(7-3-15)34(30,31)33-9-8-32-18-10-16(13-27-14-18)24-28-22-12-21(26)20(25)11-23(22)29(24)17-4-5-17/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3
InChIKey DEFGIAVJHVAOKS-UHFFFAOYSA-N
Mol Weight 501.96 g/mol
Molecular Formula C24H21ClFN3O4S
Exact Mass 501.092533 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvQmfe0tp9w
Name 2-[[5-(6-chloro-1-cyclopropyl-5-fluoro-benzimidazol-2-yl)-3-pyridyl]oxy]ethyl 4-methylbenzenesulfonate
Appearance Colorless oil
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Formula C24H21ClFN3O4S
InChI InChI=1S/C24H21ClFN3O4S/c1-15-2-6-19(7-3-15)34(30,31)33-9-8-32-18-10-16(13-27-14-18)24-28-22-12-21(26)20(25)11-23(22)29(24)17-4-5-17/h2-3,6-7,10-14,17H,4-5,8-9H2,1H3
InChIKey DEFGIAVJHVAOKS-UHFFFAOYSA-N
Instrument Name JMS-SX 102A QQ
Ionization Type EI
Molecular Weight 501.960 g/mol
Reported Formula C24H21ClFN3O4S
SMILES c1(nc2c([n]1C1CC1)cc(c(c2)F)Cl)-c1cc(cnc1)OCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0019-9128200000-367e609f476fe20ebea5
Source of Spectrum JP2015193545A
Wiley ID 1852678