Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C19H14N6/c1-14-11-19(22-25(14)17-9-7-15(12-20)8-10-17)24-13-18(21-23-24)16-5-3-2-4-6-16/h2-11,13H,1H3
SMILES	N#Cc1ccc(cc1)n1nc(cc1C)n1nnc(c1)c1ccccc1
InChI Key	QJHTUPAVPUUSNY-UHFFFAOYSA-N
Exact Mass	326.355 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QJHTUPAVPUUSNY-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/QJHTUPAVPUUSNY-UHFFFAOYSA-N/CHMO0000604
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:26:48.861016
MetadataModified	2024-09-23T09:22:06.387211
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 300.0 K PULPROG : hsqcedetgp number of scans : 2 scans title : SG-V4004 (15-36) date : 20231025 starting time : 20.31 h instrument : spect label : SG-3384 id : 280416 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.