Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C22H20N2.ClH/c1-24-13-12-19-20(14-24)23-22-18-9-7-16-4-2-15(3-5-16)6-8-17(10-11-18)21(19)22;/h2-5,10-14H,6-9H2,1H3;1H
SMILES	C[n+]1ccc2c(c1)[nH]c1c2c2CCc3ccc(CCc1cc2)cc3.[Cl-]
InChI Key	KOHDERBFDYPXDB-UHFFFAOYSA-N
Exact Mass	348.869 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KOHDERBFDYPXDB-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/KOHDERBFDYPXDB-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:05:55.889745
MetadataModified	2024-09-23T09:22:21.673604
MetadataPublished	2024-02-23

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 2048 Title : Dec16-2023-braese Date : 20231216 Start time : 23.39 h Instrument : spect Label : XQ-389 ID : 108157 Solvent : D2O

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