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bis(pentafluorobenzyl)-oxibendazole

View entire compound with spectra: 1 MS (GC)

bis(pentafluorobenzyl)-oxibendazole
SpectraBase Compound ID 3qWsc21qpfQ
InChI InChI=1S/C26H17F10N3O3/c1-3-6-42-10-4-5-13-14(7-10)38(8-11-15(27)19(31)23(35)20(32)16(11)28)25(37-13)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 UQMCRMLZCXKURF-UHFFFAOYSA-N
Mol Weight 609.42 g/mol
Molecular Formula C26H17F10N3O3
Exact Mass 609.111023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1e1pu5q0avx
Name bis(pentafluorobenzyl)-oxibendazole
Alternate Name(s) Methyl 2,3,4,5,6-pentafluorobenzyl[1-(2,3,4,5,6-pentafluorobenzyl)-6-propoxy-1H-benzimidazol-2-yl]carbamate
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Formula C26H17F10N3O3
InChI InChI=1S/C26H17F10N3O3/c1-3-6-42-10-4-5-13-14(7-10)38(8-11-15(27)19(31)23(35)20(32)16(11)28)25(37-13)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 UQMCRMLZCXKURF-UHFFFAOYSA-N
Molecular Weight 609.424 g/mol
SMILES c1([n](c2cc(OCCC)ccc2n1)Cc1c(c(F)c(c(c1F)F)F)F)N(Cc1c(c(F)c(c(c1F)F)F)F)C(=O)OC
SPLASH splash10-0a59-1802129000-a611cc4e5545da854073
Source of Spectrum JC-498-155-12
Wiley ID 1410817