Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
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

Metadata Information

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
Data-Source Molecule ID Data-Source
155928564 PubChem
The data in this table is sourced from UniChem at EBI.