Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)
SMILES	OC(=O)c1cc(nc(c1)c1ccccn1)c1ccccn1
InChI Key	ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
Exact Mass	277.277 g/mol

Data and Resources

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Metadata Information

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• Measurement

Field	Value
DOI	10.14272/ZYTWXMBGOUJDHJ-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/ZYTWXMBGOUJDHJ-UHFFFAOYSA-N/CHMO0000593
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:01:35.024230
MetadataModified	2024-09-23T09:21:07.395246
MetadataPublished	2023-12-01

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	temperature : 300.0 K PULPROG : zg30 number of scans : 16 scans title : CCP-3671 date : 20231129 starting time : 5.02 h instrument : spect label : CCP-3501 id : 285732 Solvent : DMSO