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bis(pentafluorobenzyl)-fenbendazole

View entire compound with spectra: 1 MS (GC)

bis(pentafluorobenzyl)-fenbendazole
SpectraBase Compound ID AIBqHHVEkNf
InChI InChI=1S/C29H15F10N3O2S/c1-44-29(43)42(11-15-20(32)24(36)27(39)25(37)21(15)33)28-40-16-8-7-13(45-12-5-3-2-4-6-12)9-17(16)41(28)10-14-18(30)22(34)26(38)23(35)19(14)31/h2-9H,10-11H2,1H3
InChIKey FSKIVVJFDSQLFT-UHFFFAOYSA-N
Mol Weight 659.5 g/mol
Molecular Formula C29H15F10N3O2S
Exact Mass 659.07253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSr4vaTBlfT
Name bis(pentafluorobenzyl)-fenbendazole
Alternate Name(s) Methyl 2,3,4,5,6-pentafluorobenzyl[1-(2,3,4,5,6-pentafluorobenzyl)-6-(phenylsulfanyl)-1H-benzimidazol-2-yl]carbamate
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Formula C29H15F10N3O2S
InChI InChI=1S/C29H15F10N3O2S/c1-44-29(43)42(11-15-20(32)24(36)27(39)25(37)21(15)33)28-40-16-8-7-13(45-12-5-3-2-4-6-12)9-17(16)41(28)10-14-18(30)22(34)26(38)23(35)19(14)31/h2-9H,10-11H2,1H3
InChIKey FSKIVVJFDSQLFT-UHFFFAOYSA-N
Molecular Weight 659.502 g/mol
SMILES c1([n](c2cc(Sc3ccccc3)ccc2n1)Cc1c(c(F)c(c(c1F)F)F)F)N(Cc1c(c(F)c(c(c1F)F)F)F)C(=O)OC
SPLASH splash10-0a4i-1300109000-48553855443f60aee915
Source of Spectrum JC-498-155-4
Wiley ID 1413522