Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C17H21N5O/c1-12(2)8-16(23)22-11-15-10-21(19-17(15)18-20-22)9-14-6-4-13(3)5-7-14/h4-7,10,12H,8-9,11H2,1-3H3
SMILES	CC(CC(=O)N1N=Nc2c(C1)cn(n2)Cc1ccc(cc1)C)C
InChI Key	KEQOQOHNHBUGFW-UHFFFAOYSA-N
Molecular Formula	C17H21N5O
Exact Mass	311.382 g/mol

Data and Resources

• 1H nuclear magnetic resonance spectroscopy (1H NMR)HTML
  Explore

  • More information
  • Go to resource

• 1h-nuclear-magnetic...

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/KEQOQOHNHBUGFW-UHFFFAOYSA-N/CHMO0000593
License URL
Source	https://www.chemotion-repository.net/inchikey/KEQOQOHNHBUGFW-UHFFFAOYSA-N/CHMO0000593
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:46:56.473425
MetadataModified	2024-09-07T20:04:31.271606
MetadataPublished	2021-07-11

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