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bis(pentafluorobenzyl) albendazole

View entire compound with spectra: 1 MS (GC)

bis(pentafluorobenzyl) albendazole
SpectraBase Compound ID 96ofTcK84n9
InChI InChI=1S/C26H17F10N3O2S/c1-3-6-42-10-4-5-14-13(7-10)37-25(38(14)8-11-15(27)19(31)23(35)20(32)16(11)28)39(26(40)41-2)9-12-17(29)21(33)24(36)22(34)18(12)30/h4-5,7H,3,6,8-9H2,1-2H3
InChIKey WXBUZESDNBSXCI-UHFFFAOYSA-N
Mol Weight 625.49 g/mol
Molecular Formula C26H17F10N3O2S
Exact Mass 625.08818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oetbvkBLsE
Name bis(pentafluorobenzyl) albendazole
Alternate Name(s) Methyl 2,3,4,5,6-pentafluorobenzyl[1-(2,3,4,5,6-pentafluorobenzyl)-5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
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Formula C26H17F10N3O2S
InChI InChI=1S/C26H17F10N3O2S/c1-3-6-42-10-4-5-14-13(7-10)37-25(38(14)8-11-15(27)19(31)23(35)20(32)16(11)28)39(26(40)41-2)9-12-17(29)21(33)24(36)22(34)18(12)30/h4-5,7H,3,6,8-9H2,1-2H3
InChIKey WXBUZESDNBSXCI-UHFFFAOYSA-N
Molecular Weight 625.485 g/mol
SMILES c1([n](Cc2c(c(F)c(c(c2F)F)F)F)c2ccc(cc2n1)SCCC)N(Cc1c(c(F)c(c(c1F)F)F)F)C(=O)OC
SPLASH splash10-0059-0500019000-cd7cdae1049f4e02cfed
Source of Spectrum JC-498-155-2
Wiley ID 1411824