Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C18H11N5/c1-2-13-7-9-14(10-8-13)17-12-23(22-21-17)18-11-19-15-5-3-4-6-16(15)20-18/h1,3-12H
SMILES	C#Cc1ccc(cc1)c1nnn(c1)c1cnc2c(n1)cccc2
InChI Key	UFXVPOPCEVYKQB-UHFFFAOYSA-N
Molecular Formula	C18H11N5
Exact Mass	297.313 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/UFXVPOPCEVYKQB-UHFFFAOYSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/UFXVPOPCEVYKQB-UHFFFAOYSA-N/CHMO0000595
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:06:15.157947
MetadataModified	2024-09-07T21:46:55.791902
MetadataPublished	2022-02-11

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables