Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C21H19ClN2/c22-19-11-12-23-14-21(19)24-20-13-17-6-5-15-1-3-16(4-2-15)7-9-18(20)10-8-17/h1-4,8,10-14,24H,5-7,9H2
SMILES	Clc1ccncc1Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	PJZJOOPXWQDBLS-UHFFFAOYSA-N
Exact Mass	334.842 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PJZJOOPXWQDBLS-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/PJZJOOPXWQDBLS-UHFFFAOYSA-N/CHMO0000595
Version
Author	Stefan Bräse
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:05:44.776007
MetadataModified	2024-09-23T09:22:21.388222
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 : 1024 Title : Dec16-2023-braese Date : 20231216 Start time : 13.15 h Instrument : spect Label : XQ-377 ID : 108132 Solvent : DMSO

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