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{(3aR,4R,6R,6aS)-6-[5,7-Bis(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}methanol

View entire compound with spectra: 1 MS (GC)

{(3aR,4R,6R,6aS)-6-[5,7-Bis(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}methanol
SpectraBase Compound ID 5SKb88bneCF
InChI InChI=1S/C17H17F6N3O3/c1-15(2)28-12-7(5-27)3-9(13(12)29-15)26-6-24-11-8(16(18,19)20)4-10(17(21,22)23)25-14(11)26/h4,6-7,9,12-13,27H,3,5H2,1-2H3/t7-,9-,12-,13+/m1/s1
InChIKey RGKKDJAWZLGORY-HLXLPKMUSA-N
Mol Weight 425.33 g/mol
Molecular Formula C17H17F6N3O3
Exact Mass 425.11741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17dum5K7QeK
Name {(3aR,4R,6R,6aS)-6-[5,7-Bis(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-3-yl]-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl}methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F6N3O3
InChI InChI=1S/C17H17F6N3O3/c1-15(2)28-12-7(5-27)3-9(13(12)29-15)26-6-24-11-8(16(18,19)20)4-10(17(21,22)23)25-14(11)26/h4,6-7,9,12-13,27H,3,5H2,1-2H3/t7-,9-,12-,13+/m1/s1
InChIKey RGKKDJAWZLGORY-HLXLPKMUSA-N
Molecular Weight 425.331 g/mol
SMILES OC[C@]1(C[C@@]([n]2c3c(c(C(F)(F)F)cc(n3)C(F)(F)F)nc2)([C@]2([C@@]1(OC(O2)(C)C)[H])[H])[H])[H]
SPLASH splash10-0aor-0963100000-4b78632b7423e63904dd
Source of Spectrum F4-41-1874-38
Wiley ID 1672437