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2-Octyloxy-5-[4-((2R,3R)-2-octyl-thietan-3-yloxy)-phenyl]-pyrimidine
SpectraBase Compound ID 7bLjLQ3pM92
InChI InChI=1S/C29H44N2O2S/c1-3-5-7-9-11-13-15-28-27(23-34-28)33-26-18-16-24(17-19-26)25-21-30-29(31-22-25)32-20-14-12-10-8-6-4-2/h16-19,21-22,27-28H,3-15,20,23H2,1-2H3/t27-,28-/m1/s1
InChIKey WKSOFXAEEABHIV-VSGBNLITSA-N
Mol Weight 484.7 g/mol
Molecular Formula C29H44N2O2S
Exact Mass 484.31235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5wOXUpuQI29
Name 2-Octyloxy-5-[4-((2R,3R)-2-octyl-thietan-3-yloxy)-phenyl]-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44N2O2S
InChI InChI=1S/C29H44N2O2S/c1-3-5-7-9-11-13-15-28-27(23-34-28)33-26-18-16-24(17-19-26)25-21-30-29(31-22-25)32-20-14-12-10-8-6-4-2/h16-19,21-22,27-28H,3-15,20,23H2,1-2H3/t27-,28-/m1/s1
InChIKey WKSOFXAEEABHIV-VSGBNLITSA-N
Molecular Weight 484.743 g/mol
SMILES c1(ncc(cn1)-c1ccc(O[C@@]2(CS[C@@]2(CCCCCCCC)[H])[H])cc1)OCCCCCCCC
SPLASH splash10-000i-9701200000-4783969f5a6192fd6eac
Source of Spectrum SK-25-2670-8
Synonyms (2R,3S)-3-Octyl-3-{[(2'-octyloxypyrimidin-5'-yl)phenyl]oxymethyl}thiirane (2R,3S)-3-Octyl-3-{[(2'-octyloxypyrimidin-5'-yl)phenyl]oxy}Thietane 2-(octyloxy)-5-(4-{[(2R,3R)-2-octylthietanyl]oxy}phenyl)pyrimidine
Wiley ID 866877