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/C18H15N5O/c24-18(15-9-5-2-6-10-15)23-13-16-12-22(20-17(16)19-21-23)11-14-7-3-1-4-8-14/h1-10,12H,11,13H2
SMILES O=C(N1N=Nc2c(C1)cn(n2)Cc1ccccc1)c1ccccc1
InChI Key WJOQJVSLWFMJNK-UHFFFAOYSA-N
Molecular Formula C18H15N5O
Exact Mass 317.345 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/WJOQJVSLWFMJNK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/WJOQJVSLWFMJNK-UHFFFAOYSA-N/CHMO0000593
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T04:52:21.441203
MetadataModified 2024-09-07T20:11:18.105631
MetadataPublished 2021-07-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
155928571 PubChem
The data in this table is sourced from UniChem at EBI.