Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C21H18BrN5O2/c1-2-29-21(28)18-13-26(12-15-8-10-17(22)11-9-15)24-20(18)27-14-19(23-25-27)16-6-4-3-5-7-16/h3-11,13-14H,2,12H2,1H3
SMILES	CCOC(=O)c1cn(nc1n1nnc(c1)c1ccccc1)Cc1ccc(cc1)Br
InChI Key	VTYPYIREEKHMKL-UHFFFAOYSA-N
Molecular Formula	C21H18BrN5O2
Exact Mass	452.304 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/VTYPYIREEKHMKL-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/VTYPYIREEKHMKL-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:35:59.251654
MetadataModified	2024-09-08T02:35:59.251659
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	heteronuclear multiple bond coherence
Measurement Variables

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