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1-[3,5-Bis(ethoxycarbonyl)-1H-pyrazol-1-yl]-3-[5-ethoxycarbonyl-3-(11-hydroxy-3,6,9-trioxaundecyloxycarbonyl)-1H-pyrazol-1-yl]propane
SpectraBase Compound ID 3IToZsln3rG
InChI InChI=1S/C27H40N4O12/c1-4-40-24(33)20-18-22(26(35)41-5-2)30(28-20)8-7-9-31-23(27(36)42-6-3)19-21(29-31)25(34)43-17-16-39-15-14-38-13-12-37-11-10-32/h18-19,32H,4-17H2,1-3H3
InChIKey FTKXECWOTDUULJ-UHFFFAOYSA-N
Mol Weight 612.6 g/mol
Molecular Formula C27H40N4O12
Exact Mass 612.264273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXrJOuvUt2S
Name 1-[3,5-Bis(ethoxycarbonyl)-1H-pyrazol-1-yl]-3-[5-ethoxycarbonyl-3-(11-hydroxy-3,6,9-trioxaundecyloxycarbonyl)-1H-pyrazol-1-yl]propane
Comments Less than 3 mono-isotopic peaks
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Formula C27H40N4O12
InChI InChI=1S/C27H40N4O12/c1-4-40-24(33)20-18-22(26(35)41-5-2)30(28-20)8-7-9-31-23(27(36)42-6-3)19-21(29-31)25(34)43-17-16-39-15-14-38-13-12-37-11-10-32/h18-19,32H,4-17H2,1-3H3
InChIKey FTKXECWOTDUULJ-UHFFFAOYSA-N
Molecular Weight 612.633 g/mol
SMILES OCCOCCOCCOCCOC(c1cc([n](n1)CCC[n]1c(cc(n1)C(=O)OCC)C(=O)OCC)C(=O)OCC)=O
SPLASH splash10-0udi-0090000000-0d4d74348e588f053f92
Source of Spectrum F-53-11488-2
Synonyms 5-ethyl 3-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethyl) 1-{3-[3,5-bis(ethoxycarbonyl)-1H-pyrazol-1-yl]propyl}-1H-pyrazole-3,5-dicarboxylate
Wiley ID 803457