Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C17H21FN6/c1-12(2)24(13(3)4)22-21-17-15(9-19)10-20-23(17)11-14-5-7-16(18)8-6-14/h5-8,10,12-13H,11H2,1-4H3/b22-21+
SMILES	N#Cc1cnn(c1/N=N/N(C(C)C)C(C)C)Cc1ccc(cc1)F
InChI Key	HEZWXNUXEKJBQT-QURGRASLSA-N
Molecular Formula	C17H21FN6
Exact Mass	328.387 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HEZWXNUXEKJBQT-QURGRASLSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/HEZWXNUXEKJBQT-QURGRASLSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:24:53.065893
MetadataModified	2024-09-08T02:24:53.065898
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.