Dataset

dimethyl 4,4'-(2-methyl-3-(2-(3-(octyloxy)quinoxalin-2-yl)vinyl)quinoxaline-6,7-diyl)(E)-dibenzoate

This dataset contains experimental data from a sample (methyl 4-[7-(4-methoxycarbonylphenyl)-3-methyl-2-[(E)-2-(3-octoxyquinoxalin-2-yl)ethenyl]quinoxalin-6-yl]benzoate, InChI=1S/C43H42N4O5/c1-5-6-7-8-9-12-25-52-41-38(46-36-13-10-11-14-37(36)47-41)24-23-35-28(2)44-39-26-33(29-15-19-31(20-16-29)42(48)50-3)34(27-40(39)45-35)30-17-21-32(22-18-30)43(49)51-4/h10-11,13-24,26-27H,5-9,12,25H2,1-4H3/b24-23+).

Chemical Info

InChI	InChI=1S/C43H42N4O5/c1-5-6-7-8-9-12-25-52-41-38(46-36-13-10-11-14-37(36)47-41)24-23-35-28(2)44-39-26-33(29-15-19-31(20-16-29)42(48)50-3)34(27-40(39)45-35)30-17-21-32(22-18-30)43(49)51-4/h10-11,13-24,26-27H,5-9,12,25H2,1-4H3/b24-23+
SMILES	CCCCCCCCOc1nc2ccccc2nc1/C=C/c1nc2cc(-c3ccc(C(=O)OC)cc3)c(-c3ccc(C(=O)OC)cc3)cc2nc1C
InChI Key	HWMPTXVSJYPNEX-WCWDXBQESA-N
Molecular Formula	C43H42N4O5
Exact Mass	694.832 g/mol

Data and Resources

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Related Resources

This dataset related as HasPart to https://dx.doi.org/10.14272/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000595
This dataset related as HasPart to https://dx.doi.org/10.14272/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000593
This dataset related as HasPart to https://dx.doi.org/10.14272/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000596
This dataset related as HasPart to https://dx.doi.org/10.14272/HWMPTXVSJYPNEX-WCWDXBQESA-N/CHMO0000596.1
This dataset related as IsPartOf to https://dx.doi.org/10.14272/reaction/SA-FUHFF-UHFFFADPSC-HWMPTXVSJY-UHFFFADPSC-NUHFF-NWIMK-NUHFF-ZZZ

Metadata Information

Field	Value
DOI
License URL
Source
Version
Author	Klein, Jérôme
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T14:10:19.865669
MetadataModified	2022-10-06T14:10:19.865674
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables