Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C13H12BrN5O2/c1-2-21-13(20)11-8-19(17-12(11)16-18-15)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3
SMILES	CCOC(=O)c1cn(nc1N=[N+]=[N-])Cc1ccc(cc1)Br
InChI Key	XWYLZJSXZASHCL-UHFFFAOYSA-N
Molecular Formula	C13H12BrN5O2
Exact Mass	350.171 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XWYLZJSXZASHCL-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/XWYLZJSXZASHCL-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:38:40.776246
MetadataModified	2024-09-08T02:38:40.776251
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.