Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C21H18N4/c22-25-24-21-14-23-12-11-19(21)20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14H,5-7,9H2
SMILES	[N-]=[N+]=Nc1cnccc1c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	RELGREOJJMTAKH-UHFFFAOYSA-N
Exact Mass	326.394 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RELGREOJJMTAKH-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/RELGREOJJMTAKH-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:06:36.341479
MetadataModified	2024-09-23T09:22:21.954338
MetadataPublished	2024-02-26

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 2048 Title : Dec12-2023-braese Date : 20231212 Start time : 15.22 h Instrument : spect Label : XQ-232 ID : 107966 Solvent : chloroform-D1 (CDCl3)

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