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2-{[5,7-bis(trifluoromethyl)-3H-imidazo[4,5-b]pyridin3-yl]methoxy}propan-1-3-diyl Dibenzoate
SpectraBase Compound ID Dit1o6IGl0a
InChI InChI=1S/C26H19F6N3O5/c27-25(28,29)19-11-20(26(30,31)32)34-22-21(19)33-14-35(22)15-40-18(12-38-23(36)16-7-3-1-4-8-16)13-39-24(37)17-9-5-2-6-10-17/h1-11,14,18H,12-13,15H2
InChIKey KIIJUFKOQUXURY-UHFFFAOYSA-N
Mol Weight 567.44 g/mol
Molecular Formula C26H19F6N3O5
Exact Mass 567.12289 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6q2iGHIchWW
Name 2-{[5,7-bis(trifluoromethyl)-3H-imidazo[4,5-b]pyridin3-yl]methoxy}propan-1-3-diyl Dibenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19F6N3O5
InChI InChI=1S/C26H19F6N3O5/c27-25(28,29)19-11-20(26(30,31)32)34-22-21(19)33-14-35(22)15-40-18(12-38-23(36)16-7-3-1-4-8-16)13-39-24(37)17-9-5-2-6-10-17/h1-11,14,18H,12-13,15H2
InChIKey KIIJUFKOQUXURY-UHFFFAOYSA-N
Molecular Weight 567.444 g/mol
SMILES c12[n](cnc1c(C(F)(F)F)cc(n2)C(F)(F)F)COC(COC(=O)c1ccccc1)COC(=O)c1ccccc1
SPLASH splash10-0ce9-2932140000-d2d88c748d3b617fd00a
Source of Spectrum F4-41-1874-35
Wiley ID 1711750