Dataset

(E)-3-(2-(3-(4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl)quinoxalin-2-yl)vinyl)quinoxaline-2-carbaldehyde

This dataset contains experimental data from a sample (3-[(E)-2-[3-[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-1,3-dioxolan-2-yl]quinoxalin-2-yl]ethenyl]quinoxaline-2-carbaldehyde, InChI=1S/C31H17F17N4O3/c32-24(33,25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48)11-14-13-54-23(55-14)22-20(50-17-7-3-4-8-18(17)52-22)10-9-19-21(12-53)51-16-6-2-1-5-15(16)49-19/h1-10,12,14,23H,11,13H2/b10-9+).

Chemical Info

molecular Image
InChI InChI=1S/C31H17F17N4O3/c32-24(33,25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48)11-14-13-54-23(55-14)22-20(50-17-7-3-4-8-18(17)52-22)10-9-19-21(12-53)51-16-6-2-1-5-15(16)49-19/h1-10,12,14,23H,11,13H2/b10-9+
SMILES O=Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChI Key QVGHOFCXDAFLBK-MDZDMXLPSA-N
Molecular Formula C31H17F17N4O3
Exact Mass 816.468 g/mol

Data and Resources

Related Resources

Metadata Information

Field Value
DOI
License URL
Source
Version
Author Klein, Jérôme
Maintainer chemotion.net
Language en
MetadataCreated 2022-10-06T14:10:43.134179
MetadataModified 2022-10-06T14:10:43.134184
MetadataPublished
Field Value
Measurement Technique
Measurement Variables