Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C22H21N4.ClH/c1-26-13-12-20(22(15-26)24-25-23)21-14-18-7-6-16-2-4-17(5-3-16)8-10-19(21)11-9-18;/h2-5,9,11-15H,6-8,10H2,1H3;1H/q+1;/p-1
SMILES	[N-]=[N+]=Nc1c[n+](C)ccc1c1cc2ccc1CCc1ccc(CC2)cc1.[Cl-]
InChI Key	YVHVOAZMKUDAFB-UHFFFAOYSA-M
Exact Mass	376.882 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/YVHVOAZMKUDAFB-UHFFFAOYSA-M/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/YVHVOAZMKUDAFB-UHFFFAOYSA-M/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:02:13.714259
MetadataModified	2024-09-23T09:22:06.958893
MetadataPublished	2024-02-15

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 : 18.40 h Instrument : spect Label : XQ-244 ID : 107978 Solvent : D2O

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