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1,3-Bis[5-ethoxycarbonyl-3-(5-hydroxy-3-oxapentyloxycarbonyl)-1H-pyrazol-1-yl]propane
SpectraBase Compound ID K7WUTYlo24p
InChI InChI=1S/C25H36N4O12/c1-3-38-24(34)20-16-18(22(32)40-14-12-36-10-8-30)26-28(20)6-5-7-29-21(25(35)39-4-2)17-19(27-29)23(33)41-15-13-37-11-9-31/h16-17,30-31H,3-15H2,1-2H3
InChIKey ABEOSSRGYAQLEW-UHFFFAOYSA-N
Mol Weight 584.6 g/mol
Molecular Formula C25H36N4O12
Exact Mass 584.232973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQXYPHx02yS
Name 1,3-Bis[5-ethoxycarbonyl-3-(5-hydroxy-3-oxapentyloxycarbonyl)-1H-pyrazol-1-yl]propane
Comments Less than 3 mono-isotopic peaks
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Formula C25H36N4O12
InChI InChI=1S/C25H36N4O12/c1-3-38-24(34)20-16-18(22(32)40-14-12-36-10-8-30)26-28(20)6-5-7-29-21(25(35)39-4-2)17-19(27-29)23(33)41-15-13-37-11-9-31/h16-17,30-31H,3-15H2,1-2H3
InChIKey ABEOSSRGYAQLEW-UHFFFAOYSA-N
Molecular Weight 584.579 g/mol
SMILES OCCOCCOC(c1n[n](CCC[n]2nc(C(OCCOCCO)=O)cc2C(=O)OCC)c(c1)C(=O)OCC)=O
SPLASH splash10-0002-9000000000-01dc5b5e18f6596b94e3
Source of Spectrum F-53-11486-9
Synonyms 5-ethyl 3-[2-(2-hydroxyethoxy)ethyl]1-[3-(5-(ethoxycarbonyl)-3-{[2-(2-hydroxyethoxy)ethoxy]carbonyl}-1H-pyrazol-1-yl)propyl]-1H-pyrazole-3,5-dicarboxylate
Wiley ID 803463