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(trans)-2-[4-({4-[1-(4-{[1-(2-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]methoxy}phenyl)-1-methylethyl]phenoxy}methyl)-1H-1,2,3-triazol-1-yl]cyclohexanol

View entire compound with spectra: 1 MS (GC)

(trans)-2-[4-({4-[1-(4-{[1-(2-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]methoxy}phenyl)-1-methylethyl]phenoxy}methyl)-1H-1,2,3-triazol-1-yl]cyclohexanol
SpectraBase Compound ID EbY5rLrYy7t
InChI InChI=1S/C33H42N6O4/c1-33(2,23-11-15-27(16-12-23)42-21-25-19-38(36-34-25)29-7-3-5-9-31(29)40)24-13-17-28(18-14-24)43-22-26-20-39(37-35-26)30-8-4-6-10-32(30)41/h11-20,29-32,40-41H,3-10,21-22H2,1-2H3/t29-,30+,31-,32+
InChIKey KNPMJCWVDCEGEJ-HRDPQUPSSA-N
Mol Weight 586.7 g/mol
Molecular Formula C33H42N6O4
Exact Mass 586.326754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rCiko7UBaY
Name (trans)-2-[4-({4-[1-(4-{[1-(2-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl]methoxy}phenyl)-1-methylethyl]phenoxy}methyl)-1H-1,2,3-triazol-1-yl]cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H42N6O4
InChI InChI=1S/C33H42N6O4/c1-33(2,23-11-15-27(16-12-23)42-21-25-19-38(36-34-25)29-7-3-5-9-31(29)40)24-13-17-28(18-14-24)43-22-26-20-39(37-35-26)30-8-4-6-10-32(30)41/h11-20,29-32,40-41H,3-10,21-22H2,1-2H3/t29-,30+,31-,32+
InChIKey KNPMJCWVDCEGEJ-HRDPQUPSSA-N
Literature Reference DOI 10.1002/ajoc.201200012
Molecular Weight 586.737 g/mol
SMILES O[C@@]1([C@@]([n]2nnc(COc3ccc(C(c4ccc(OCc5nn[n]([C@@]6(CCCC[C@]6(O)[H])[H])c5)cc4)(C)C)cc3)c2)(CCCC1)[H])[H]
SPLASH splash10-00di-4219000000-c7d9e368c855c585f007
Source of Spectrum AJO-1-377/SM5-3o
Synonyms (1S,2S)-2-(4-((4-(2-(4-((1-((1R,2R)-2-hydroxycyclohexyl)-1H-1,2,3-triazol-4-yl)methoxy)phenyl)propan-2-yl)phenoxy)methyl)-1H-1,2,3-triazol-1-yl)cyclohexanol
Wiley ID 1769924