Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C20H19N5O/c1-15-12-20(22-24(15)13-16-6-4-3-5-7-16)25-14-19(21-23-25)17-8-10-18(26-2)11-9-17/h3-12,14H,13H2,1-2H3
SMILES	COc1ccc(cc1)c1nnn(c1)c1nn(c(c1)C)Cc1ccccc1
InChI Key	HKYHACNKJZVDCN-UHFFFAOYSA-N
Molecular Formula	C20H19N5O
Exact Mass	345.398 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HKYHACNKJZVDCN-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/HKYHACNKJZVDCN-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:31:27.406376
MetadataModified	2024-09-08T02:31:27.406381
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.