Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C12H11N5/c1-9-7-12(15-13-9)17-8-11(14-16-17)10-5-3-2-4-6-10/h2-8H,1H3,(H,13,15)
SMILES	Cc1[nH]nc(c1)n1nnc(c1)c1ccccc1
InChI Key	BTYPCTNIHDBBSH-UHFFFAOYSA-N
Molecular Formula	C12H11N5
Exact Mass	225.249 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/BTYPCTNIHDBBSH-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/BTYPCTNIHDBBSH-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:35:07.107702
MetadataModified	2024-09-08T02:35:07.107709
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables