Dataset

X-ray diffraction (XRD)

Chemical Info

InChI	InChI=1S/C38H28Br2N4O4/c1-3-47-37(45)23-9-5-21(6-10-23)33-25-13-17-29(41-25)35(39)31-19-15-27(43-31)34(22-7-11-24(12-8-22)38(46)48-4-2)28-16-20-32(44-28)36(40)30-18-14-26(33)42-30/h5-20,41,44H,3-4H2,1-2H3/b33-25-,33-26-,34-27-,34-28-,35-29+,35-31+,36-30+,36-32+
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/Br)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/Br
InChI Key	DJGWMTKKMOZBMF-YVBDPAHPSA-N
Molecular Formula	C38H28Br2N4O4
Exact Mass	764.461 g/mol

Data and Resources

• X-ray diffraction (XRD)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DJGWMTKKMOZBMF-YVBDPAHPSA-N/CHMO0000156
License URL
Source	https://www.chemotion-repository.net/inchikey/DJGWMTKKMOZBMF-YVBDPAHPSA-N/CHMO0000156
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:51:18.678189
MetadataModified	2024-09-07T18:52:54.915164
MetadataPublished	2020-08-31

Field	Value
Measurement Technique	X-ray diffraction
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.