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/C9H7N5O/c1-15-9-8-11-12-13-14(8)7-5-3-2-4-6(7)10-9/h2-5H,1H3
SMILES COc1nc2ccccc2n2c1nnn2
InChI Key VEKBUDDBMJNFNK-UHFFFAOYSA-N
Molecular Formula C9H7N5O
Exact Mass 201.185 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VEKBUDDBMJNFNK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/VEKBUDDBMJNFNK-UHFFFAOYSA-N/CHMO0000593
Version
Author Laura Holzhauer
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:08:13.815179
MetadataModified 2024-09-07T21:49:28.423059
MetadataPublished 2022-02-11
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
MCULE-1772889362 Mcule
12933147 PubChem
ZINC000015082381 ZINC
25579583 eMolecules
The data in this table is sourced from UniChem at EBI.