Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C50H30Br8N4O4/c1-3-65-49(63)27-19-15-25(16-20-27)31-45-37(55)33(51)41(59-45)29(23-11-7-5-8-12-23)43-35(53)39(57)47(61-43)32(26-17-21-28(22-18-26)50(64)66-4-2)48-40(58)36(54)44(62-48)30(24-13-9-6-10-14-24)42-34(52)38(56)46(31)60-42/h5-22,59,62H,3-4H2,1-2H3/b41-29-,42-30-,43-29-,44-30-,45-31-,46-31-,47-32-,48-32-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C\2/N=C(C(=C2Br)Br)/C(=c/2\[nH]/c(=C(\C3=N/C(=C(\c4[nH]c1c(Br)c4Br)/c1ccccc1)/C(=C3Br)Br)/c1ccc(cc1)C(=O)OCC)/c(c2Br)Br)/c1ccccc1
InChI Key	NRDQBPJLNQDPCN-BOPYEVHASA-N
Molecular Formula	C50H30Br8N4O4
Exact Mass	1390.030 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NRDQBPJLNQDPCN-BOPYEVHASA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NRDQBPJLNQDPCN-BOPYEVHASA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:46:09.369436
MetadataModified	2024-09-07T16:05:33.506422
MetadataPublished	2019-08-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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