| 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 |
| Alternate Name(s) |
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 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Wiley ID |
803457 |
![1-[3,5-Bis(ethoxycarbonyl)-1H-pyrazol-1-yl]-3-[5-ethoxycarbonyl-3-(11-hydroxy-3,6,9-trioxaundecyloxycarbonyl)-1H-pyrazol-1-yl]propane](/api/spectrum/IXrJOuvUt2S/structure.png?h=300&w=458 "1-[3,5-Bis(ethoxycarbonyl)-1H-pyrazol-1-yl]-3-[5-ethoxycarbonyl-3-(11-hydroxy-3,6,9-trioxaundecyloxycarbonyl)-1H-pyrazol-1-yl]propane")
