Dataset

dimethyl 4,4'-(2-(bromomethyl)-3-methylquinoxaline-6,7-diyl)dibenzoate

This dataset contains experimental data from a sample (methyl 4-[2-(bromomethyl)-7-(4-methoxycarbonylphenyl)-3-methylquinoxalin-6-yl]benzoate, InChI=1S/C26H21BrN2O4/c1-15-24(14-27)29-23-13-21(17-6-10-19(11-7-17)26(31)33-3)20(12-22(23)28-15)16-4-8-18(9-5-16)25(30)32-2/h4-13H,14H2,1-3H3).

Chemical Info

InChI	InChI=1S/C26H21BrN2O4/c1-15-24(14-27)29-23-13-21(17-6-10-19(11-7-17)26(31)33-3)20(12-22(23)28-15)16-4-8-18(9-5-16)25(30)32-2/h4-13H,14H2,1-3H3
SMILES	COC(=O)c1ccc(-c2cc3nc(C)c(CBr)nc3cc2-c2ccc(C(=O)OC)cc2)cc1
InChI Key	ZZMMSPYWOSXXGJ-UHFFFAOYSA-N
Molecular Formula	C26H21BrN2O4
Exact Mass	505.368 g/mol

Data and Resources

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Related Resources

This dataset related as HasPart to https://dx.doi.org/10.14272/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000470
This dataset related as HasPart to https://dx.doi.org/10.14272/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000595
This dataset related as HasPart to https://dx.doi.org/10.14272/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000593
This dataset related as HasPart to https://dx.doi.org/10.14272/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000630
This dataset related as HasPart to https://dx.doi.org/10.14272/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000596.1
This dataset related as HasPart to https://dx.doi.org/10.14272/ZZMMSPYWOSXXGJ-UHFFFAOYSA-N/CHMO0000596
This dataset related as IsPartOf to https://dx.doi.org/10.14272/reaction/SA-FUHFF-UHFFFADPSC-ZZMMSPYWOS-UHFFFADPSC-NUHFF-NUHFF-NUHFF-ZZZ

Metadata Information

Field	Value
DOI
License URL
Source
Version
Author	Klein, Jérôme
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T14:09:54.733703
MetadataModified	2022-10-06T14:09:54.733708
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables