Dataset

nuclear magnetic resonance spectroscopy (NMR)

Chemical Info

InChI	InChI=1S/C20H20N6/c1-3-25(15-18-7-5-4-6-8-18)24-22-20-13-16(2)26(23-20)19-11-9-17(14-21)10-12-19/h4-13H,3,15H2,1-2H3/b24-22+
SMILES	CCN(Cc1ccccc1)/N=N/c1nn(c(c1)C)c1ccc(cc1)C#N
InChI Key	HEQYPJIVZWENPL-ZNTNEXAZSA-N
Exact Mass	329.378 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HEQYPJIVZWENPL-ZNTNEXAZSA-N/CHMO0000591.1
License URL
Source	https://www.chemotion-repository.net/inchikey/HEQYPJIVZWENPL-ZNTNEXAZSA-N/CHMO0000591.1
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:19:51.706441
MetadataModified	2024-09-23T09:20:47.608800
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 5120 Title : SG-V4053 Date : 20231216 Start time : 0.08 h Instrument : spect Label : SG-3447 ID : 287058 Solvent : chloroform-D1 (CDCl3)

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