Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C17H20F2N6/c1-11(2)25(12(3)4)23-22-17-14(8-20)9-21-24(17)10-13-5-15(18)7-16(19)6-13/h5-7,9,11-12H,10H2,1-4H3/b23-22+
SMILES	CC(N(C(C)C)/N=N/c1n(ncc1C#N)Cc1cc(F)cc(c1)F)C
InChI Key	ZFEWCQZPKGQXCJ-GHVJWSGMSA-N
Molecular Formula	C17H20F2N6
Exact Mass	346.378 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZFEWCQZPKGQXCJ-GHVJWSGMSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/ZFEWCQZPKGQXCJ-GHVJWSGMSA-N/CHMO0000604
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:48:02.872768
MetadataModified	2024-09-08T02:48:02.872776
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables

Data-Source Molecule ID	Data-Source
155928572	PubChem
MARZEO	CCDC
The data in this table is sourced from UniChem at EBI.