Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C18H18BrN5O4/c1-3-27-18(26)16-10-23(8-13-4-6-14(19)7-5-13)21-17(16)24-9-15(20-22-24)11-28-12(2)25/h4-7,9-10H,3,8,11H2,1-2H3
SMILES	CCOC(=O)c1cn(nc1n1nnc(c1)COC(=O)C)Cc1ccc(cc1)Br
InChI Key	JIGNGCLNWAMKPG-UHFFFAOYSA-N
Molecular Formula	C18H18BrN5O4
Exact Mass	448.271 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JIGNGCLNWAMKPG-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/JIGNGCLNWAMKPG-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:36:58.162659
MetadataModified	2024-09-08T02:36:58.162665
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.