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6-(4-(2-Cyanophenoxy)-6-(2-((E)-1-(methoxycarbonyl)-2-methoxyvinyl) phenoxy)pyrimidin-2-yl)hexanoic acid
SpectraBase Compound ID 6IwcyD7m41s
InChI InChI=1S/C28H27N3O7/c1-35-18-21(28(34)36-2)20-11-7-9-13-23(20)38-26-16-25(37-22-12-8-6-10-19(22)17-29)30-24(31-26)14-4-3-5-15-27(32)33/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,32,33)/b21-18+
InChIKey IGOMVTDJUATHMT-DYTRJAOYSA-N
Mol Weight 517.54 g/mol
Molecular Formula C28H27N3O7
Exact Mass 517.1849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYlGWXH0nsD
Name 6-(4-(2-Cyanophenoxy)-6-(2-((E)-1-(methoxycarbonyl)-2-methoxyvinyl) phenoxy)pyrimidin-2-yl)hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N3O7
InChI InChI=1S/C28H27N3O7/c1-35-18-21(28(34)36-2)20-11-7-9-13-23(20)38-26-16-25(37-22-12-8-6-10-19(22)17-29)30-24(31-26)14-4-3-5-15-27(32)33/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,32,33)/b21-18+
InChIKey IGOMVTDJUATHMT-DYTRJAOYSA-N
Molecular Weight 517.538 g/mol
SMILES OC(CCCCCc1nc(Oc2c(\C(C(=O)OC)=C/OC)cccc2)cc(n1)Oc1c(C#N)cccc1)=O
SPLASH splash10-0frl-4718950000-56a6e598e8a9130ec9e3
Source of Spectrum F-67-631-3
Synonyms 6-[4-(2-cyanophenoxy)-6-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy]-2-pyrimidinyl]hexanoic acid 6-[4-(2-cyanophenoxy)-6-[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenoxy]pyrimidin-2-yl]hexanoic acid 6-[4-(2-cyanophenoxy)-6-[2-[(E)-2-methoxy-1-methoxycarbonyl-vinyl]phenoxy]pyrimidin-2-yl]hexanoic acid 6-[4-(2-cyanophenoxy)-6-[2-[(E)-1,3-dimethoxy-3-oxidanylidene-prop-1-en-2-yl]phenoxy]pyrimidin-2-yl]hexanoic acid
Wiley ID 1685462