Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C22H18N6O2/c1-15-3-5-16(6-4-15)12-27-13-19(11-23)21(25-27)28-14-20(24-26-28)17-7-9-18(10-8-17)22(29)30-2/h3-10,13-14H,12H2,1-2H3
SMILES	COC(=O)c1ccc(cc1)c1nnn(c1)c1nn(cc1C#N)Cc1ccc(cc1)C
InChI Key	DMRAVMAMSLYEBQ-UHFFFAOYSA-N
Molecular Formula	C22H18N6O2
Exact Mass	398.417 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DMRAVMAMSLYEBQ-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/DMRAVMAMSLYEBQ-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:34:43.000022
MetadataModified	2024-09-08T02:34:43.000027
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.