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5-[4-((2R,3R)-2-Octyl-1,1-dioxo-1lambda*6*-thietan-3-yloxy)-phenyl]-2-octyloxy-pyrimidine

View entire compound with spectra: 1 MS (GC)

5-[4-((2R,3R)-2-Octyl-1,1-dioxo-1lambda*6*-thietan-3-yloxy)-phenyl]-2-octyloxy-pyrimidine
SpectraBase Compound ID 3oPBPpAFAmb
InChI InChI=1S/C29H44N2O4S/c1-3-5-7-9-11-13-15-28-27(23-36(28,32)33)35-26-18-16-24(17-19-26)25-21-30-29(31-22-25)34-20-14-12-10-8-6-4-2/h16-19,21-22,27-28H,3-15,20,23H2,1-2H3/t27-,28-/m1/s1
InChIKey ADQCKLJZTVYQRJ-VSGBNLITSA-N
Mol Weight 516.7 g/mol
Molecular Formula C29H44N2O4S
Exact Mass 516.302179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4dVFyN2Pz0s
Name 5-[4-((2R,3R)-2-Octyl-1,1-dioxo-1lambda*6*-thietan-3-yloxy)-phenyl]-2-octyloxy-pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44N2O4S
InChI InChI=1S/C29H44N2O4S/c1-3-5-7-9-11-13-15-28-27(23-36(28,32)33)35-26-18-16-24(17-19-26)25-21-30-29(31-22-25)34-20-14-12-10-8-6-4-2/h16-19,21-22,27-28H,3-15,20,23H2,1-2H3/t27-,28-/m1/s1
InChIKey ADQCKLJZTVYQRJ-VSGBNLITSA-N
Molecular Weight 516.741 g/mol
SMILES C1S([C@@]([C@@]1(Oc1ccc(-c2cnc(nc2)OCCCCCCCC)cc1)[H])(CCCCCCCC)[H])(=O)=O
SPLASH splash10-0wmr-4951620000-fcab5bbf11722813a9a2
Source of Spectrum SK-25-2671-9
Synonyms (2R,3S)-3-Octyl-3-{[(2'-octyloxypyrimidin-5'-yl)phenyl]oxymethyl}thiirane-1,1-dioxide (2R,3S)-3-Octyl-3-{[(2'-octyloxypyrimidin-5'-yl)phenyl]oxy}Thietane-1,1-dioxide 5-(4-{[(2R,3R)-2-octyl-1,1-dioxidothietanyl]oxy}phenyl)-2-(octyloxy)pyrimidine
Wiley ID 866876