Dataset

heteronuclear single quantum coherence (HSQC)

Chemical Info

InChI	InChI=1S/C16H15N3/c17-19-18-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11H,5-7,9H2
SMILES	[N-]=[N+]=Nc1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	BWVPTMJTRJUYPG-UHFFFAOYSA-N
Exact Mass	249.310 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BWVPTMJTRJUYPG-UHFFFAOYSA-N/CHMO0000604
License URL
Source	https://www.chemotion-repository.net/inchikey/BWVPTMJTRJUYPG-UHFFFAOYSA-N/CHMO0000604
Version
Author	Tilman Hans Köhler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:39:36.151010
MetadataModified	2024-09-23T09:24:18.683206
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 : Nov30-2023 date : 20231201 starting time : 7.31 h instrument : Avance NEO label : KT-507 id : 285275 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
J2.966.511G	Nikkaji
101805696	PubChem
The data in this table is sourced from UniChem at EBI.