Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C17H21N5/c1-3-4-10-16-13-22(20-18-16)17-11-14(2)21(19-17)12-15-8-6-5-7-9-15/h5-9,11,13H,3-4,10,12H2,1-2H3
SMILES	CCCCc1nnn(c1)c1cc(n(n1)Cc1ccccc1)C
InChI Key	PKNOMBYYAWYDCG-UHFFFAOYSA-N
Exact Mass	295.382 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PKNOMBYYAWYDCG-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/PKNOMBYYAWYDCG-UHFFFAOYSA-N/CHMO0000604
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:26:16.670677
MetadataModified	2024-09-23T09:22:02.434954
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-V4011(4-7) date : 20231031 starting time : 20.36 h instrument : spect label : SG-3391 id : 281345 Solvent : chloroform-D1 (CDCl3)

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