Dataset

heteronuclear multiple bond coherence (HMBC)

Chemical Info

InChI	InChI=1S/C22H21N7/c1-16-4-6-17(7-5-16)13-28-14-19(12-23)22(25-28)29-15-21(24-26-29)18-8-10-20(11-9-18)27(2)3/h4-11,14-15H,13H2,1-3H3
SMILES	N#Cc1cn(nc1n1nnc(c1)c1ccc(cc1)N(C)C)Cc1ccc(cc1)C
InChI Key	PIHYCVSEWQEZEE-UHFFFAOYSA-N
Molecular Formula	C22H21N7
Exact Mass	383.449 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PIHYCVSEWQEZEE-UHFFFAOYSA-N/CHMO0000601
License URL
Source	https://www.chemotion-repository.net/inchikey/PIHYCVSEWQEZEE-UHFFFAOYSA-N/CHMO0000601
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:39:58.703025
MetadataModified	2024-09-08T02:39:58.703031
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.