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bis(pentafluorobenzyl)-mebendazole

View entire compound with spectra: 1 MS (GC)

bis(pentafluorobenzyl)-mebendazole
SpectraBase Compound ID 4jj1xmbzGlR
InChI InChI=1S/C30H15F10N3O3/c1-46-30(45)43(11-15-20(33)24(37)27(40)25(38)21(15)34)29-41-16-9-13(28(44)12-5-3-2-4-6-12)7-8-17(16)42(29)10-14-18(31)22(35)26(39)23(36)19(14)32/h2-9H,10-11H2,1H3
InChIKey BEJDDZOBFDQHDK-UHFFFAOYSA-N
Mol Weight 655.45 g/mol
Molecular Formula C30H15F10N3O3
Exact Mass 655.095373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qv4gH9PnYp
Name bis(pentafluorobenzyl)-mebendazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H15F10N3O3
InChI InChI=1S/C30H15F10N3O3/c1-46-30(45)43(11-15-20(33)24(37)27(40)25(38)21(15)34)29-41-16-9-13(28(44)12-5-3-2-4-6-12)7-8-17(16)42(29)10-14-18(31)22(35)26(39)23(36)19(14)32/h2-9H,10-11H2,1H3
InChIKey BEJDDZOBFDQHDK-UHFFFAOYSA-N
Molecular Weight 655.452 g/mol
SMILES c1([n](Cc2c(c(F)c(c(c2F)F)F)F)c2ccc(cc2n1)C(=O)c1ccccc1)N(Cc1c(c(F)c(c(c1F)F)F)F)C(=O)OC
SPLASH splash10-0a4i-5900012000-b88c6f29991b9401c7c1
Source of Spectrum JC-498-155-8
Synonyms Methyl 5-benzoyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-benzimidazol-2-yl(2,3,4,5,6-pentafluorobenzyl)carbamate
Wiley ID 1413330