Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C31H25N/c1-2-6-25(7-3-1)29-21-27-8-4-5-9-30(27)32-31(29)28-20-24-15-14-22-10-12-23(13-11-22)16-18-26(28)19-17-24/h1-13,17,19-21H,14-16,18H2
SMILES	c1ccc(cc1)c1cc2ccccc2nc1c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	CKTSOYZVZNKWSS-UHFFFAOYSA-N
Exact Mass	411.537 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CKTSOYZVZNKWSS-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/CKTSOYZVZNKWSS-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:28:56.379217
MetadataModified	2024-09-23T09:23:22.349894
MetadataPublished	2024-05-21
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Jan15-2024 date : 20240116 starting time : 4.47 h instrument : Avance NEO label : KT-636 id : 289812 Solvent : CD2Cl2

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