Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C29H26N2/c1-3-7-26(8-4-1)29(27-9-5-2-6-10-27)31-30-28-21-24-16-15-22-11-13-23(14-12-22)17-19-25(28)20-18-24/h1-14,18,20-21,30H,15-17,19H2
SMILES	c1ccc(cc1)C(=NNc1cc2ccc1CCc1ccc(CC2)cc1)c1ccccc1
InChI Key	ZTYGGDYWDPKPHR-UHFFFAOYSA-N
Exact Mass	402.530 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZTYGGDYWDPKPHR-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/ZTYGGDYWDPKPHR-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:30:43.255457
MetadataModified	2024-09-23T09:23:30.870171
MetadataPublished	2024-05-21

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	temperature : 298.0 K PULPROG : hsqcedetgpsisp2.3 number of scans : 4 scans title : Dec14-2023 date : 20231215 starting time : 21.07 h instrument : Avance NEO label : KT-584 id : 287731 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
101108412	PubChem
J1.535.713D	Nikkaji
The data in this table is sourced from UniChem at EBI.