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/C9H9N3O2/c10-12-11-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)
SMILES OC(=O)C(N=[N+]=[N-])Cc1ccccc1
InChI Key DIFYSVZHVRAXAV-UHFFFAOYSA-N
Molecular Formula C9H9N3O2
Exact Mass 191.187 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DIFYSVZHVRAXAV-UHFFFAOYSA-N/NMR/1H/CDCl3/250
License URL
Source https://www.chemotion-repository.net/inchikey/DIFYSVZHVRAXAV-UHFFFAOYSA-N/NMR/1H/CDCl3/250
Version
Author Daniela Althuon
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T23:42:33.795925
MetadataModified 2024-09-07T13:00:02.639253
MetadataPublished 2014-05-27
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
J2.292.863E Nikkaji
12170845 PubChem
SCHEMBL3127176 SureChEMBL
The data in this table is sourced from UniChem at EBI.